Sugi Predict

Sugi Predict / Compounds / SCHEMBL11304060

SCHEMBL11304060

SCHEMBL11304060

CNCc1ccc(CC(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ PTGS1 P23219 3/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ AKR1C3 P42330 2/20 0.44
▸ CXCR1 P25024 2/20 0.44
▸ CXCR2 P25025 2/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ NCF1 P14598 1/20 0.44
▸ ALB P02768 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ RARB P10826 1/20 0.44
▸ ADRB3 P13945 1/20 0.44

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
SCHEMBL25146600 0.94 LOXL2 (0.45) LOXL2KDM4ECYP3A4MAPTALDH1A1
SCHEMBL2504209 0.82 KDM4E (0.68) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL1131597 0.82 PTGS1 (0.56) MAPTALDH1A1CHRM1PDE4APTGS1
SCHEMBL13104071 0.80 LOXL2 (0.45) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL8120565 0.79 PTGS1 (0.50) MAPTALDH1A1CHRM1PDE4APTGS1
SCHEMBL24246167 0.79 ALDH1A1 (0.43) ALDH1A1CHRM1PDE4APTGS1PTGS2
SCHEMBL16869918 0.79 SIGMAR1 (0.50) ALDH1A1CHRM1PDE4APTGS1PTGS2
SCHEMBL24246307 0.79 ALDH1A1 (0.43) ALDH1A1CHRM1PDE4APTGS1PTGS2
SCHEMBL11624681 0.79 IDO1 (0.50) CYP3A4MAPTALDH1A1CHRM1PDE4A
SCHEMBL5174938 0.79 PTGS1 (0.54) MAPTALDH1A1CHRM1PDE4APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104043-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF 杭州和正医药有限公司 2023-06-15 — — WO disclosed
EP-3086815-B1 SULFONAMIDE-CONTAINING LINKAGE SYSTEMS FOR DRUG CONJUGATES ZYMEWORKS INC (CA) 2022-02-09 — — EP disclosed
EP-3087091-B1 VAR2CSA-DRUG CONJUGATES ZYMEWORKS INC (CA) 2021-10-20 — — EP disclosed
WO-2018140338-A1 AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO., LTD. (TW) 2018-08-02 — — WO disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 — — US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 — — US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 — — US disclosed
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 — — US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 — — US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 — — US disclosed
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-10-21 — — US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 — — US disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 — — US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 — — US disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 — — WO disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO 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 (6 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LOXL2 3968/4885KDM4E 1618/4885CYP3A4 537/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LOXL2 3968/4885KDM4E 1618/4885CYP3A4 537/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LOXL2 3968/4885KDM4E 1618/4885CYP3A4 537/4885
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC LOXL2 1906/4885KDM4E 3725/4885CYP3A4 2015/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B LOXL2 187/4885KDM4E 1591/4885CYP3A4 348/4885
US-20100267669-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 LOXL2 3968/4885KDM4E 1618/4885CYP3A4 537/4885

“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.

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