SCHEMBL6288104

SCHEMBL6288104

CCOC(=O)c1sc(N)nc1-c1cccc(C#N)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ FNTA P49354 1/20 0.54
▸ FNTB P49356 1/20 0.54
▸ TLR8 Q9NR97 1/20 0.50
▸ TLR7 Q9NYK1 1/20 0.50
▸ CDC7 O00311 3/20 0.49
▸ DBF4 Q9UBU7 3/20 0.49
▸ SETD7 Q8WTS6 1/20 0.49
▸ FBP1 P09467 1/20 0.48
▸ HPGD P15428 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ DHODH Q02127 4/20 0.47

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
SCHEMBL1919770 0.88 FNTA (0.55) ALDH1A1HSD17B10FNTAFNTBTLR8
SCHEMBL6288115 0.87 FNTA (0.54) ALDH1A1HSD17B10FNTAFNTBTLR8
SCHEMBL2691019 0.86 ALDH1A1 (0.71) ALDH1A1HSD17B10FNTAFNTBCDC7
SCHEMBL11164259 0.85 ALDH1A1 (0.77) ALDH1A1HSD17B10CDC7DBF4FBP1
SCHEMBL6279541 0.85 DHODH (0.55) ALDH1A1HSD17B10FNTAFNTBMEN1
SCHEMBL24508984 0.83 ALDH1A1 (0.73) ALDH1A1HSD17B10CDC7DBF4FBP1
SCHEMBL2489842 0.83 ALDH1A1 (0.73) ALDH1A1HSD17B10CDC7DBF4FBP1
SCHEMBL18342059 0.83 ALDH1A1 (0.73) ALDH1A1HSD17B10CDC7DBF4FBP1
SCHEMBL330552 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10CDC7DBF4FBP1
SCHEMBL6286606 0.81 DHODH (0.75) HPGDMEN1KMT2ANPC1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962935-B2 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 — — US disclosed
US-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors PRUITT JAMES RUSSELL (US) 2004-04-15 — — US disclosed
US-6569874-B1 Such as 2-acetylamino-4-(3-amidinophenyl)-5-((2'-amino-sulfonyl-(1,1')-biphen-4 -yl)aminocarbonyl)thiazole; for treatment of thromboembolic disorders BRISTOL-MYERS SQUIBB COMPANY 2003-05-27 — — US disclosed
EP-0946528-B1 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-04-09 — — EP disclosed
US-6187797-B1 ANTICOAGULANTS; TRYPSINE-LIKE SERINE PROTEASE INHIBITORS DUPONT PHARMACEUTICALS COMPANY 2001-02-13 — — US disclosed
EP-0946528-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 — — EP disclosed
WO-1998028282-A2 OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 — — 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 (1 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-20040073029-A1 Oxygen or sulfur containing heteroaromatics as factor Xa inhibitors F12, XDH, F2 ALDH1A1 596/4885HSD17B10 689/4885FNTA 3536/4885

“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.

Send feedback