SCHEMBL3416166

SCHEMBL3416166

COc1ccc(-c2cccc(CC(=O)O)c2)cc1CCOC(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.58
▸ MGLL Q99685 4/20 0.56
▸ NR1H4 Q96RI1 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ FABP4 P15090 1/20 0.45
▸ PTPN11 Q06124 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ TSHR P16473 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
SCHEMBL3416589 0.93 ENPP2 (0.50) ENPP2MGLLNR1H4NPSR1RAB9A
SCHEMBL3419017 0.93 NR1H4 (0.52) ENPP2MGLLNR1H4NPSR1SMN1; SMN2
SCHEMBL3417457 0.92 ENPP2 (0.49) ENPP2MGLLNR1H4NPSR1PTPN11
SCHEMBL3415371 0.90 MGLL (0.51) ENPP2MGLLNR1H4
SCHEMBL3411988 0.84 ENPP2 (0.42) ENPP2MGLLNR1H4NPC1RAB9A
SCHEMBL3415458 0.80 PTPN11 (0.49) ENPP2NR1H4NPSR1FABP4PTPN11
SCHEMBL3413715 0.78 SHMT1 (0.43) LMNAPTPN11
SCHEMBL3414104 0.78 PKM (0.48) ENPP2MGLLNR1H4PTPN11
SCHEMBL3410516 0.78 PTGDR2 (0.45) ENPP2MGLLNR1H4LMNATP53
SCHEMBL4334960 0.77 NPSR1 (0.55) MGLLNPSR1NPC1RAB9ASMN1; SMN2

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 833/4885MGLL 3532/4885NR1H4 85/4885

“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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