SCHEMBL211751

SCHEMBL211751

c1csc(CN2CCNCC2)n1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.72
CYP2D6 P10635 6/20 0.65
TSHR P16473 4/20 0.61
ALDH1A1 P00352 3/20 0.61
CYP2C9 P11712 2/20 0.61
MAPK1 P28482 2/20 0.55
CYP3A4 P08684 5/20 0.47
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4914558 1.00 ALOX15 (0.72) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL4487346 0.83 ALOX15 (0.59) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL1514924 0.83 ALOX15 (0.52) ALOX15CYP2D6TSHRALDH1A1CYP2C9
Tert-Butyl Formate SCHEMBL28872040 0.83 ALOX15 (0.53) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL807362 0.81 ALOX15 (0.58) ALOX15CYP2D6TSHRALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL4832535 0.81 ALOX15 (0.51) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL6482630 0.80 ALOX15 (0.56) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL14338850 0.80 ALOX15 (0.56) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL30341042 0.79 ALOX15 (0.55) ALOX15CYP2D6TSHRALDH1A1CYP2C9
SCHEMBL952226 0.79 ALOX15 (0.55) ALOX15CYP2D6TSHRALDH1A1CYP2C9

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
US-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-07-24 US claimed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 US claimed
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-07 US claimed
US-7091219-B2 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-08-15 US claimed
EP-1586558-A2 Bis-sulfonamide hydroxyethylamino retroviral protease inhinitors G.D. Searle LLC. (US) 2005-10-19 EP claimed
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2004-04-01 US claimed
US-6569882-B2 Viricides; enzyme inhibitors G. D. SEARLE & CO. 2003-05-27 US claimed
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2003-01-16 US claimed
US-6384036-B1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. 2002-05-07 US claimed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US claimed
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP claimed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 WO claimed
CN-109563092-B 2-phenylimidazo [4,5-B ] pyridin-7-amine derivatives useful as inhibitors of the activity of the mammalian tyrosine kinase ROR1 坎塞拉有限公司 2021-09-14 CN disclosed
CN-109563092-A It can be used as the 2- phenylimidazole of the active inhibitor of mammal tyrosine kinase ROR1 simultaneously [4,5-B] pyridine -7- amine derivative 坎塞拉有限公司 2019-04-02 CN disclosed
CN-104003940-B 2,4-difluoro-5-( phthalazone-1-methyl)-benzoyl piperazine compound and application thereof 华东理工大学 2017-02-15 CN disclosed
EP-1812445-B1 PHARMACEUTICAL COMPOUNDS PIRAMED LTD (GB) 2015-12-30 EP disclosed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US disclosed
WO-1999054308-A1 5-AMINOINDENO(1,2-C)PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-28 WO disclosed
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 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-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS PRSS1, DNPEP, PREP ALOX15 3163/4885CYP2D6 1662/4885TSHR 4736/4885
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ALOX15 2958/4885CYP2D6 1558/4885TSHR 4766/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP ALOX15 3163/4885CYP2D6 1662/4885TSHR 4736/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ALOX15 2958/4885CYP2D6 1558/4885TSHR 4766/4885

“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.