SCHEMBL3998693

SCHEMBL3998693

CCCCCCCOc1ccc(Br)cc1C(=O)N[C@@H](Cc1ccc(-c2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.43
▸ KIFC1 Q9BW19 1/20 0.41
▸ CNR2 P34972 2/20 0.40
▸ ITGB1 P05556 2/20 0.40
▸ ITGA4 P13612 2/20 0.40
▸ ITGB7 P26010 2/20 0.40
▸ PPARD Q03181 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ YAP1 P46937 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ HDAC1 Q13547 4/20 0.38

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
SCHEMBL6506765 0.94 PTPN1 (0.41) PTPN1KIFC1CNR2ITGB1ITGA4
SCHEMBL6183680 0.94 PTPN1 (0.45) PTPN1CNR2PPARDPPARAPPARG
SCHEMBL3999740 0.94 KIFC1 (0.48) PTPN1KIFC1ITGB1ITGA4ITGB7
SCHEMBL4831640 0.94 KIFC1 (0.48) PTPN1KIFC1ITGB1ITGA4ITGB7
SCHEMBL6506764 0.92 KIFC1 (0.47) PTPN1KIFC1ITGB1ITGA4ITGB7
SCHEMBL6506763 0.92 KIFC1 (0.47) PTPN1KIFC1ITGB1ITGA4ITGB7
SCHEMBL4829602 0.87 ITGA4 (0.44) PTPN1KIFC1ITGB1ITGA4ITGB7
SCHEMBL4829606 0.87 ITGA4 (0.44) PTPN1KIFC1ITGB1ITGA4ITGB7
SCHEMBL3995232 0.86 ITGA4 (0.43) KIFC1ITGB1ITGA4ITGB7PPARG
SCHEMBL3991617 0.86 ITGA4 (0.48) PTPN1ITGB1ITGA4ITGB7PTPN11

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-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — 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-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 — — EP disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014533-A2 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

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 PTPN1 3761/4885KIFC1 3927/4885CNR2 2482/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 PTPN1 2517/4885KIFC1 4489/4885CNR2 660/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 PTPN1 1846/4885KIFC1 4773/4885CNR2 341/4885

“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