SCHEMBL3411927

SCHEMBL3411927

N#Cc1cc(Cl)ccc1OCC(O)COc1ccc(-c2cccc(CC(=O)O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.45
▸ PTGDR2 Q9Y5Y4 6/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ NR1H4 Q96RI1 2/20 0.41
▸ XDH P47989 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ PPARD Q03181 1/20 0.39

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
SCHEMBL3417436 0.89 SCN9A (0.44) SCN9APTGDR2TBXA2RPTGER1XDH
SCHEMBL3418795 0.87 PPARD (0.47) TBXA2RPTGER1NR1H4PTPN11PPARD
SCHEMBL3416365 0.86 CYP1A2 (0.50) NR1H4RXRA
SCHEMBL3413257 0.85 PPARD (0.48) TBXA2RPTGER1PTPN11PPARD
SCHEMBL13433653 0.83 MEN1 (0.46) TBXA2RPTGER1NR1H4RXRARXRB
SCHEMBL3416156 0.82 SCN9A (0.46) SCN9APTGDR2TBXA2RPTGER1XDH
SCHEMBL3417537 0.82 KMT2A (0.46) TBXA2RPTGER1NR1H4PTPN11PPARD
SCHEMBL3416099 0.81 FFAR1 (0.52) RXRAMMP12PPARD
SCHEMBL3419188 0.80 FFAR1 (0.47) NR1H4PTPN11RXRAPPARD
SCHEMBL3418441 0.78 MEN1 (0.53) NR1H4PTPN11RXRAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 — — US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 — — US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 — — EP 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 (1 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR SCN9A 1491/4885PTGDR2 1581/4885TBXA2R 1098/4885

“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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