SCHEMBL3971232

SCHEMBL3971232

COC(=O)[C@H](Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)NC(=O)c1cc(Cl)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.47
CDK2 P24941 3/20 0.45
LNPEP Q9UIQ6 1/20 0.45
ITGB1 P05556 6/20 0.44
ITGA4 P13612 6/20 0.44
ITGB7 P26010 3/20 0.44
TACR3 P29371 1/20 0.44
PSMB5 P28074 1/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL3979419 1.00 PYGL (0.47) PYGLCDK2LNPEPITGB1ITGA4
SCHEMBL6503531 0.93 PYGL (0.46) PYGLCDK2LNPEPTACR3PSMB5
SCHEMBL6503528 0.93 PYGL (0.46) PYGLCDK2LNPEPTACR3PSMB5
SCHEMBL3991444 0.92 ITGA4 (0.48) ITGB1ITGA4ITGB7
SCHEMBL5927011 0.92 ITGA4 (0.48) ITGB1ITGA4ITGB7
SCHEMBL3974510 0.91 PYGL (0.50) PYGLCDK2LNPEPTACR3HDAC1
SCHEMBL3974514 0.91 PYGL (0.50) PYGLCDK2LNPEPTACR3HDAC1
SCHEMBL3998558 0.90 ABCG2 (0.48) LNPEPITGB1ITGA4ITGB7TACR3
SCHEMBL3996954 0.90 ABCG2 (0.48) LNPEPITGB1ITGA4ITGB7TACR3
SCHEMBL4824034 0.90 PYGL (0.48) PYGLCDK2ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 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-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 (3 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 PYGL 1268/4885CDK2 2502/4885LNPEP 1470/4885
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 PYGL 202/4885CDK2 781/4885LNPEP 1652/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 PYGL 1158/4885CDK2 1006/4885LNPEP 1330/4885

“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.