SCHEMBL3979762

SCHEMBL3979762

COC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1cc(-c2ccc(F)c(Cl)c2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.47
HDAC6 Q9UBN7 6/20 0.47
CDK2 P24941 5/20 0.46
ECE1 P42892 2/20 0.43
CCKAR P32238 1/20 0.42
CCKBR P32239 1/20 0.42
NOS2 P35228 2/20 0.41
LNPEP Q9UIQ6 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL4831927 1.00 HDAC1 (0.47) HDAC1HDAC6CDK2ECE1CCKAR
SCHEMBL4833581 0.94 CDK2 (0.51) HDAC1HDAC6CDK2ECE1NOS2
SCHEMBL4833586 0.94 CDK2 (0.51) HDAC1HDAC6CDK2ECE1NOS2
SCHEMBL4833482 0.91 CDK2 (0.51) HDAC1HDAC6CDK2ECE1NOS2
SCHEMBL4827805 0.91 CDK2 (0.51) HDAC1HDAC6CDK2ECE1NOS2
SCHEMBL5927133 0.90 CDK2 (0.49) HDAC1HDAC6CDK2ECE1NOS2
SCHEMBL6497424 0.89 ECE1 (0.52) HDAC1HDAC6CDK2ECE1
SCHEMBL6497428 0.89 ECE1 (0.52) HDAC1HDAC6CDK2ECE1
SCHEMBL5544392 0.88 CDK2 (0.47) CDK2ECE1NOS2KDR
SCHEMBL4829724 0.88 CDK2 (0.47) CDK2ECE1NOS2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO 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 (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-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 HDAC1 1637/4885HDAC6 456/4885CDK2 2502/4885
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 HDAC1 1936/4885HDAC6 2949/4885CDK2 781/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 HDAC1 656/4885HDAC6 518/4885CDK2 1006/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO HDAC1 1171/4885HDAC6 1063/4885CDK2 456/4885

“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.