SCHEMBL5926281

SCHEMBL5926281

COC(=O)CC(NC(=O)c1cc(Cl)ccc1N)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 1/20 0.53
▸ DCAF1 Q9Y4B6 4/20 0.47
▸ CTSA P10619 3/20 0.47
▸ UTS2R Q9UKP6 9/20 0.46
▸ CYP26A1 O43174 1/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ ROCK1 Q13464 2/20 0.44

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
SCHEMBL3989390 0.91 TACR3 (0.44) TACR3DCAF1CTSAUTS2R
SCHEMBL5926688 0.89 CTSA (0.58) DCAF1CTSAUTS2RCYP26A1
SCHEMBL4824242 0.88 TACR3 (0.53) TACR3DCAF1CTSAROCK2ROCK1
SCHEMBL5926851 0.88 TACR3 (0.44) TACR3DCAF1CTSAUTS2RCYP26A1
SCHEMBL3979415 0.88 TACR3 (0.44) TACR3DCAF1CTSAUTS2RCYP26A1
SCHEMBL6503530 0.87 DCAF1 (0.45) TACR3DCAF1CTSAUTS2RROCK2
SCHEMBL3972848 0.87 POLB (0.53) TACR3DCAF1CTSAROCK2ROCK1
SCHEMBL5926375 0.87 POLB (0.49) TACR3CTSAUTS2RCYP26A1
SCHEMBL5926521 0.85 SERPINE1 (0.41) TACR3DCAF1CTSACYP26A1ROCK2
SCHEMBL5926526 0.81 TACR3 (0.51) TACR3DCAF1CTSAUTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — US disclosed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 — — EP disclosed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 — — US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — 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 (2 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 TACR3 4152/4885DCAF1 3718/4885CTSA 638/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 TACR3 3996/4885DCAF1 2372/4885CTSA 426/4885

“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.

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