SCHEMBL691175

SCHEMBL691175

CC1CC(=O)c2sc(N)nc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 1/20 0.55
PIK3CD O00329 2/20 0.52
PIK3CA P42336 2/20 0.52
PIK3CB P42338 2/20 0.52
PIK3CG P48736 2/20 0.52
MAPK1 P28482 1/20 0.51
ATAD2 Q6PL18 1/20 0.40
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
GRM5 P41594 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
POLB P06746 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL13736606 0.80 PIK3CD (0.54) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL12680792 0.76 PIK3CD (0.50) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL12680959 0.71 ALDH1A1 (1.00) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL693028 0.71 HPGD (0.58) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL13125914 0.71 ALDH1A1 (0.78) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL19520762 0.70 ALDH1A1 (0.70) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL1176987 0.69 PIK3CD (1.00) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL10502127 0.69 HPGD (0.45) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL13884488 0.69 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1ATAD2DRD2
SCHEMBL13125920 0.69 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1ATAD2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181555-B1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE GILEAD SCIENCES INC (US) 2018-11-28 EP disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-9879023-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
EP-3181555-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2017-06-21 EP disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
EP-2421872-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2012-02-29 EP disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
EP-1283834-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2009-09-16 EP disclosed
US-20060160797-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2006-07-20 US disclosed
US-7030135-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2006-04-18 US disclosed
US-20030199501-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-10-23 US disclosed
EP-1283834-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090094-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 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 (4 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ALDH1A1 355/4885MAPT 1627/4885PIK3CD 759/4885
US-20060160797-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 ALDH1A1 539/4885MAPT 855/4885PIK3CD 4205/4885
US-20030199501-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 ALDH1A1 409/4885MAPT 650/4885PIK3CD 3921/4885
US-20120108618-A1 THIA-TRIAZA-INDACENES CCNA1, MKI67, CCNT1 ALDH1A1 51/4885MAPT 1921/4885PIK3CD 3741/4885

“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.