SCHEMBL3999740

SCHEMBL3999740

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KIFC1 Q9BW19 1/20 0.48
▸ PTPN1 P18031 1/20 0.45
▸ ITGB1 P05556 6/20 0.43
▸ ITGA4 P13612 6/20 0.43
▸ ITGB7 P26010 3/20 0.43
▸ PPARG P37231 6/20 0.43
▸ PPARD Q03181 5/20 0.43
▸ PPARA Q07869 5/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ GPR34 Q9UPC5 1/20 0.40

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
SCHEMBL4831640 1.00 KIFC1 (0.48) KIFC1PTPN1ITGB1ITGA4ITGB7
SCHEMBL6506764 0.99 KIFC1 (0.47) KIFC1PTPN1ITGB1ITGA4ITGB7
SCHEMBL6506763 0.99 KIFC1 (0.47) KIFC1PTPN1ITGB1ITGA4ITGB7
SCHEMBL3998693 0.94 PTPN1 (0.43) KIFC1PTPN1ITGB1ITGA4ITGB7
SCHEMBL4829602 0.94 ITGA4 (0.44) KIFC1PTPN1ITGB1ITGA4ITGB7
SCHEMBL4829606 0.94 ITGA4 (0.44) KIFC1PTPN1ITGB1ITGA4ITGB7
SCHEMBL3995232 0.93 ITGA4 (0.43) KIFC1ITGB1ITGA4ITGB7PPARG
SCHEMBL3995215 0.93 PTPN11 (0.46) KIFC1PTPN1ITGB1ITGA4ITGB7
SCHEMBL6506765 0.92 PTPN1 (0.41) KIFC1PTPN1ITGB1ITGA4ITGB7
SCHEMBL3991617 0.91 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 14 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-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US 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
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 KIFC1 3927/4885PTPN1 3761/4885ITGB1 139/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 KIFC1 4489/4885PTPN1 2517/4885ITGB1 240/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 KIFC1 4773/4885PTPN1 1846/4885ITGB1 826/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO KIFC1 2072/4885PTPN1 454/4885ITGB1 3853/4885

“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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