SCHEMBL3995385

SCHEMBL3995385

O=C(Nc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccc(-c2ccccc2Oc2ccccc2)cc1)C(=O)O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR132 Q9UNW8 7/20 0.48
▸ SERPINE1 P05121 3/20 0.48
▸ F10 P00742 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ PYGL P06737 1/20 0.44
▸ PYGM P11217 1/20 0.44
▸ CMKLR2 P46091 1/20 0.43
▸ CMKLR1 Q99788 1/20 0.43

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
SCHEMBL3993018 0.94 GPR132 (0.59) GPR132PTPN1CMKLR2CMKLR1
SCHEMBL5926744 0.93 SERPINE1 (0.56) SERPINE1PTPN1
SCHEMBL5926619 0.90 ITGA4 (0.47) SERPINE1
SCHEMBL5926197 0.88 SERPINE1 (0.49) SERPINE1PTPN1
SCHEMBL5926815 0.88 GPR34 (0.55) GPR132SERPINE1PTPN1
SCHEMBL5926633 0.87 SERPINE1 (0.45) GPR132SERPINE1F10PTPN1
SCHEMBL5926977 0.87 FFAR1 (0.45) —
SCHEMBL5927230 0.87 GRN (0.47) GPR132SERPINE1F10
SCHEMBL5927527 0.86 SERPINE1 (0.52) SERPINE1PTPN1
SCHEMBL5927430 0.86 GPR34 (0.47) SERPINE1PTPN1

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 GPR132 3507/4885SERPINE1 27/4885F10 9/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 GPR132 2429/4885SERPINE1 56/4885F10 14/4885

“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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