SCHEMBL3411988

SCHEMBL3411988

COc1ccc(-c2cccc(CC(=O)O)c2)cc1CCOC(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GAA P10253 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ ACLY P53396 2/20 0.41
▸ PPARD Q03181 3/20 0.41
▸ HPGD P15428 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PTGER1 P34995 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ IDO1 P14902 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
SCHEMBL3417457 0.88 ENPP2 (0.49) ENPP2TBXA2RPTGER1NR1H4MGLL
SCHEMBL3413715 0.86 SHMT1 (0.43) MAPTMEN1LMNAKMT2APTGDR2
SCHEMBL3416166 0.84 ENPP2 (0.58) ENPP2SMN1; SMN2LMNANR1H4MGLL
SCHEMBL3412410 0.84 PPARD (0.50) MAPTPPARDTBXA2RPTGER1
SCHEMBL3416589 0.81 ENPP2 (0.50) ENPP2MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL3419017 0.81 NR1H4 (0.52) ENPP2MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL3414104 0.80 PKM (0.48) ENPP2MEN1KMT2APTGDR2PPARD
SCHEMBL3410516 0.80 PTGDR2 (0.45) ENPP2MAPTLMNAPTGDR2PPARD
SCHEMBL4340279 0.79 LDHA (0.46) MAPTGAAKDM4ESMN1; SMN2MEN1
SCHEMBL3415371 0.79 MGLL (0.51) ENPP2PTGDR2PPARDTBXA2RNR1H4

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 ENPP2 833/4885MAPT 4765/4885GAA 1991/4885

“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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