SCHEMBL3995215

SCHEMBL3995215

CCCCCCCOc1ccc(Br)cc1C(=O)N[C@@H](Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 4/20 0.46
▸ ITGA4 P13612 12/20 0.46
▸ ITGB1 P05556 10/20 0.46
▸ ITGB3 P05106 3/20 0.44
▸ ITGA2B P08514 3/20 0.44
▸ ITGB7 P26010 6/20 0.42
▸ KIFC1 Q9BW19 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 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
SCHEMBL5926894 0.97 ITGA4 (0.46) PTPN11ITGA4ITGB1ITGB3ITGA2B
SCHEMBL3991617 0.95 ITGA4 (0.48) PTPN11ITGA4ITGB1ITGB3ITGA2B
SCHEMBL5927441 0.94 ITGA4 (0.45) ITGA4ITGB1ITGB7KIFC1
SCHEMBL4829606 0.93 ITGA4 (0.44) PTPN11ITGA4ITGB1ITGB3ITGA2B
SCHEMBL4829602 0.93 ITGA4 (0.44) PTPN11ITGA4ITGB1ITGB3ITGA2B
SCHEMBL4831640 0.93 KIFC1 (0.48) PTPN11ITGA4ITGB1ITGB3ITGA2B
SCHEMBL3995232 0.93 ITGA4 (0.43) PTPN11ITGA4ITGB1ITGB3ITGA2B
SCHEMBL3999740 0.93 KIFC1 (0.48) PTPN11ITGA4ITGB1ITGB3ITGA2B
SCHEMBL8337866 0.92 PTPN11 (0.44) PTPN11ITGA4ITGB1ITGB3ITGA2B
SCHEMBL5926496 0.92 ITGB3 (0.44) ITGA4ITGB1ITGB3ITGA2BITGB7

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 8 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-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
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
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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 PTPN11 2131/4885ITGA4 312/4885ITGB1 240/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 PTPN11 1025/4885ITGA4 1170/4885ITGB1 826/4885

“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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