Sugi Predict

Sugi Predict / Compounds / SCHEMBL1462745

SCHEMBL1462745

SCHEMBL1462745

CCOC(=O)CC(Br)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ MGAM O43451 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SI P14410 1/20 0.44
▸ MGAM2 Q2M2H8 1/20 0.44
▸ ALOX15 P16050 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SOAT1 P35610 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NR1I2 O75469 1/20 0.33

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
SCHEMBL29407941 0.82 ALDH1A1 (0.45) ALDH1A1TRPA1MGAMGAASI
SCHEMBL16123909 0.81 ATM (0.46) ALDH1A1TSHRTDP1HCAR2L3MBTL1
SCHEMBL1654810 0.80 L3MBTL1 (0.46) ALDH1A1TRPA1MGAMGAASI
SCHEMBL3255348 0.78 — —
SCHEMBL4967459 0.78 MGAM (0.48) ALDH1A1TRPA1MGAMGAASI
SCHEMBL6585676 0.78 ALDH1A1 (0.54) ALDH1A1TRPA1MGAMGAASI
SCHEMBL2321958 0.78 — —
SCHEMBL3332151 0.77 MGAM (0.46) ALDH1A1TRPA1MGAMGAASI
SCHEMBL3336259 0.77 MGAM (0.46) ALDH1A1TRPA1MGAMGAASI
SCHEMBL13319194 0.77 MGAM (0.46) ALDH1A1TRPA1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109776522-B Substituted heteroaryl compounds, compositions and uses thereof 广东东阳光药业有限公司 2020-12-29 — — CN disclosed
EP-3710006-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Sunshine Lake Pharma Co., Ltd. (CN) 2020-09-23 — — EP disclosed
US-10683297-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2020-06-16 — — US disclosed
CN-110964010-A Preparation method of minodronate intermediate 上海应用技术大学 2020-04-07 — — CN disclosed
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Northern Industrial Area, (CN) 2019-05-23 — — US disclosed
US-9657057-B2 Dipeptide and tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2017-05-23 — — US disclosed
US-9657057-B2 Dipeptide and tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2017-05-23 — — US disclosed
US-9657057-B2 Dipeptide and tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2017-05-23 — — US disclosed
EP-2308839-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 — — EP disclosed
US-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-02-04 — — US disclosed
US-4379791-A 4-(Substituted thiazolyl)-3-hydroxy-3-pyrroline-2,5-dione inhibitors of glycolic acid oxidase MERCK & CO., INC. (US) 1983-04-12 — — US disclosed
US-4377588-A 4-(Substituted thiazolyl)-3-hydroxy-3-pyrroline-2,5-dione inhibitors of glycolic acid oxidase MERCK SHARP & DOHME (I.A.) CORP. (US) 1983-03-22 — — US disclosed
EP-0025232-B1 4-(SUBSTITUTED THIAZOLYL)-3-HYDROXY-3-PYRROLINE-2,5-DIONE COMPOUNDS, PROCESSES FOR PREPARING AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME MERCK & CO. INC. (US) 1983-01-19 — — EP disclosed
US-4363909-A ANTIVIRAL AGENTS RHONE POULENC INDUSTRIES (FR) 1982-12-14 — — US disclosed
US-4298743-A TREATMENT AND PREVENTION OF CALCIUM OXALATE RENAL LITHIASIS MERCK & CO., INC. (US) 1981-11-03 — — US disclosed
US-4296237-A INHIBITORS OF GLYCOLIC ACID OXIDASE; PREVENTION AND TREATMENT OF KIDNEY STONES MERCK & CO., INC. (US) 1981-10-20 — — US disclosed
EP-0025232-A1 4-(Substituted thiazolyl)-3-hydroxy-3-pyrroline-2,5-dione compounds, processes for preparing and a pharmaceutical composition comprising the same MERCK & CO. INC. (US) 1981-03-18 — — EP disclosed
US-4172137-A 5-Thiazole-alkylamines used as antilipolytics ROUSSEL UCLAF (FR) 1979-10-23 — — US disclosed
US-4053618-A ANTILIPOLYTIC ROUSSEL-UCLAF (FR) 1977-10-11 — — US disclosed
US-4007176-A BACTERICIDE, ANTIBIOTIC RHONE-POULENEC S.A. (FR) 1977-02-08 — — 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 (3 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-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, PEPD, DNPEP ALDH1A1 2356/4885TRPA1 4704/4885MGAM 1812/4885
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB ALDH1A1 4070/4885TRPA1 4757/4885MGAM 3339/4885
US-10683297-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB ALDH1A1 4070/4885TRPA1 4757/4885MGAM 3339/4885

“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.