Sugi Predict

Sugi Predict / Compounds / SCHEMBL360806

SCHEMBL360806

SCHEMBL360806

CC(=O)c1ccccc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CA2 P00918 1/20 0.44
▸ PDK2 Q15119 2/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ RBP4 P02753 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PBRM1 Q86U86 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4575902 0.84 PDK2 (0.45) ALDH1A1TDP1TSHRPDK2PDK1
SCHEMBL1148444 0.84 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL15834065 0.83 PDK2 (0.40) ALDH1A1TDP1TSHRCA2PDK2
SCHEMBL31028133 0.82 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL30663932 0.82 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL7537141 0.82 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL39249 0.82 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL670251 0.81 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2LMNA
SCHEMBL1434698 0.81 CA2 (0.45) ALDH1A1TDP1TSHRCA2PDK2
SCHEMBL12245660 0.81 CA2 (0.45) ALDH1A1TDP1TSHRCA2PDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49582-E1 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2023-07-18 — — US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 — — US disclosed
US-20230183282-A1 REMDESIVIR AND REMDESIVIR ANALOGS, SOLUTIONS, AND NANOPARTICLE, LIPOSOMAL, AND MICROPARTICLE COMPOSITIONS FOR TREATING VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-06-15 — — US disclosed
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 — — US disclosed
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 — — US disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 — — US disclosed
US-10988448-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2021-04-27 — — US disclosed
US-20210113533-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-04-22 — — US disclosed
CN-107207733-B Novel crosslinking catalysts for silicone compositions 埃肯有机硅法国简易股份公司 2020-07-14 — — CN disclosed
US-20190345109-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2019-11-14 — — US disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 — — US disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 — — US disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 — — US disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 — — US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 — — WO disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD ALDH1A1 443/4885TDP1 521/4885TSHR 4535/4885
US-20230167099-A1 NEW PYRAZINE COMPOUND EGFR, ERBB2, WEE1 ALDH1A1 2834/4885TDP1 3778/4885TSHR 1774/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ALDH1A1 1971/4885TDP1 133/4885TSHR 4775/4885
US-10988448-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 ALDH1A1 1326/4885TDP1 2573/4885TSHR 2017/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 ALDH1A1 3033/4885TDP1 1963/4885TSHR 97/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885TDP1 2242/4885TSHR 1662/4885
US-20210113533-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE RRM2, RRM2B, RRM1 ALDH1A1 826/4885TDP1 494/4885TSHR 771/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 ALDH1A1 2677/4885TDP1 191/4885TSHR 4811/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ALDH1A1 1971/4885TDP1 133/4885TSHR 4775/4885
US-20190345109-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 ALDH1A1 1326/4885TDP1 2573/4885TSHR 2017/4885
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE RRM2, RRM2B, RRM1 ALDH1A1 826/4885TDP1 494/4885TSHR 771/4885
US-20230183282-A1 REMDESIVIR AND REMDESIVIR ANALOGS, SOLUTIONS, AND NANOPARTICLE, LIPOSOMAL, AND MICROPARTICLE COMPOSITIONS FOR TREATING VIRAL INFECTIONS ALB, ACE, ACE2 ALDH1A1 3327/4885TDP1 4501/4885TSHR 4564/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.