SCHEMBL6286606

SCHEMBL6286606

CCOC(=O)c1sc(Nc2ccccc2)nc1-c1cccc(C#N)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 18/20 0.75
NPC1 O15118 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL6279541 0.88 DHODH (0.55) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6279525 0.87 DHODH (0.55) DHODHMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL27971291 0.86 DHODH (1.00) DHODHNPC1MAPTHPGDRAB9A
SCHEMBL1919770 0.82 FNTA (0.55) DHODHHPGDMEN1CYP1A2CYP2C9
SCHEMBL6288104 0.81 ALDH1A1 (0.69) DHODHNPC1MAPTHPGDRAB9A
SCHEMBL6288115 0.81 FNTA (0.54) DHODHHPGDMEN1CYP1A2CYP2C9
SCHEMBL12672194 0.80 DHODH (0.87) DHODHNPC1MAPTHPGDRAB9A
SCHEMBL16742050 0.79 DHODH (1.00) DHODH
SCHEMBL6288098 0.77 CDC7 (0.68) NPC1MAPTRAB9AMEN1CYP1A2
SCHEMBL18109118 0.76 DHODH (1.00) DHODH

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 DHODH 169/4885NPC1 2921/4885MAPT 4870/4885

“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.