SCHEMBL385874

SCHEMBL385874

[CH2]Sc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
HSD17B10 Q99714 4/20 0.46
CYP2A6 P11509 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
IFNAR1 P17181 1/20 0.43
CYP1A2 P05177 5/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
HPRT1 P00492 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL31167972 0.79 IFNAR1 (0.60) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL253961 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL577858 0.79 IFNAR1 (0.60) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL30550559 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Naphthalene SCHEMBL28117644 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Water SCHEMBL27319226 0.77 IFNAR1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Water SCHEMBL28049974 0.77 IFNAR1 (0.48) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL30548749 0.77 IFNAR1 (0.58) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL10857225 0.76 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1814806 0.75 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192983-B2 Improving storage stability by reacting with hydrogen sulfate lithium- containing compound; aspartyl protease inhibitors G.D. SEARLE & CO. (US) 2007-03-20 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
US-20060074247-A1 N-protected/N-substituted-beta-amino hydroxy sulfonates G.D. SEARLE & CO. (US) 2006-04-06 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-6586627-B1 Blocking carbocyclic oxo, amines such as 2-(bis(phenylmethyl) amino)-3-phenylpropanal to form 2-(Bis(phenylmethyl)amino)-1-hydroxy-3-phenylpropylsulfonic Acid Salts, having storage stability; chemical intermediates for enzyme inhibitors G. D. SEARLE & CO. 2003-07-01 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-6147253-A STABILIZED FORM OF N-PROTECTED/N-SUBSTITUTED ALPHA-AMINO ALDEHYDES G. D. SEARLE & CO. (US) 2000-11-14 US claimed
US-6143747-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 2000-11-07 US claimed
EP-0861233-B1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES SEARLE & CO (US) 2000-05-03 EP claimed
US-5939587-A DEBLOCKING, DESALTING, DESULFONATING AND OXIDATING TO ALDEHYDE; STORAGE STABILITY, MATERIALS HANDLING G. D. SEARLE & COMPANY (US) 1999-08-17 US claimed
US-5847201-A N-protected/N-substituted-beta-amino hydroxy sulfonates G.D. SEARLE & CO. (US) 1998-12-08 US claimed
EP-0861233-A1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES G.D. SEARLE & CO. (US) 1998-09-02 EP claimed
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP claimed
WO-1997018190-A1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES G.D. SEARLE & CO. (US) 1997-05-22 WO claimed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 WO claimed
US-4427586-A ANTI-BACTERIAL AGENTS AND ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-01-24 US claimed

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-20060074247-A1 N-protected/N-substituted-beta-amino hydroxy sulfonates AANAT, AASDHPPT, ALDH7A1 ALDH1A1 30/4885HSD17B10 578/4885CYP2A6 784/4885
US-20030013751-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ALDH1A1 2388/4885HSD17B10 1721/4885CYP2A6 1477/4885
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP ALDH1A1 2674/4885HSD17B10 1453/4885CYP2A6 1405/4885
US-20040063771-A1 Bis-sulfonamide hydroxyethyl-amino retroviral protease inhibitors DNPEP, PRSS1, PREP ALDH1A1 2388/4885HSD17B10 1721/4885CYP2A6 1477/4885

“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.