Sugi Predict

Sugi Predict / Compounds / SCHEMBL3532152

SCHEMBL3532152

SCHEMBL3532152

COc1ccc2o[c]c(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ HPGD P15428 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ HSD17B10 Q99714 5/20 0.47
▸ POLB P06746 2/20 0.43
▸ MAOA P21397 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ LMNA P02545 2/20 0.41

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
SCHEMBL693879 0.85 KDM4E (0.47) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL9624356 0.76 ABCB1 (0.51) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL693617 0.73 GABRP (0.35) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL18045173 0.71 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL719569 0.68 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL436334 0.68 SMN1; SMN2 (0.63) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL221025 0.67 CYP1A2 (0.36) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL29410038 0.67 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL6990506 0.67 BRD4 (0.49) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL13564007 0.65 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 — — EP claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 — — US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 — — US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 — — US claimed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 — — EP claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 — — US claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 — — WO claimed
CN-117069725-A Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-11-17 — — CN disclosed
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 — — US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 — — US disclosed
EP-1796677-A4 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORP (US) 2009-07-08 — — EP disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 — — US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 — — US disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 — — US disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 — — US disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 — — WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 — — WO disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 — — US disclosed
US-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 — — US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 — — 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 (7 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-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 ALDH1A1 353/4885KDM4E 2759/4885HPGD 26/4885
US-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885KDM4E 917/4885HPGD 471/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP ALDH1A1 1483/4885KDM4E 956/4885HPGD 745/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS ALDH1A1 184/4885KDM4E 2594/4885HPGD 28/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885KDM4E 917/4885HPGD 471/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885KDM4E 917/4885HPGD 471/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885KDM4E 917/4885HPGD 471/4885

“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.