SCHEMBL3417436

SCHEMBL3417436

COc1ccc(-c2cccc(CC(=O)O)c2)cc1OCC(O)COc1ccc(Cl)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.44
▸ PTGDR2 Q9Y5Y4 5/20 0.42
▸ XDH P47989 3/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ PTGER1 P34995 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ PPARD Q03181 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL3411927 0.89 SCN9A (0.45) SCN9APTGDR2XDHSLC22A12TBXA2R
SCHEMBL3410529 0.88 KMT2A (0.48) TBXA2RPTGER1PTPN11PPARDMEN1
SCHEMBL3410463 0.87 MRGPRX4 (0.46) TBXA2RPTGER1PTPN11PPARDMEN1
SCHEMBL3417537 0.86 KMT2A (0.46) TBXA2RPTGER1PTPN11PPARDMEN1
SCHEMBL3411776 0.85 MEN1 (0.43) TBXA2RPTGER1PTPN11PPARDMEN1
SCHEMBL3414138 0.82 PTGDR2 (0.48) SCN9APTGDR2XDHTBXA2RPTGER1
SCHEMBL3415786 0.81 MRGPRX4 (0.46) PTPN11PPARDKMT2APPARGKDM4E
SCHEMBL3418441 0.81 MEN1 (0.53) PTPN11PPARDMEN1KMT2AKDM4E
SCHEMBL3411590 0.78 TBXA2R (0.42) SCN9APTGDR2TBXA2RPTGER1PTPN11
SCHEMBL3416156 0.77 SCN9A (0.46) SCN9APTGDR2XDHTBXA2RPTGER1

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 1581/4885XDH 303/4885

“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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