SCHEMBL3414040

SCHEMBL3414040

COc1ccc(-c2cccc(/C=C/C(=O)O)c2)cc1CNC(=O)c1sc(-c2ccc(C)cc2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
AKR1C4 P17516 6/20 0.45
AKR1C2 P52895 6/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
PPARA Q07869 2/20 0.45
AKR1C1 Q04828 3/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
GAA P10253 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
SCHEMBL3414043 1.00 AKR1C3 (0.47) AKR1C3NPC1HPGDAKR1C4AKR1C2
SCHEMBL13433353 0.87 HPGD (0.46) NPC1HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL3415767 0.85 PPARA (0.60) NPC1HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL13433438 0.85 HPGD (0.48) NPC1HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL3419218 0.83 PPARA (0.51) NPC1HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL13433357 0.83 HPGD (0.47) NPC1HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL3418656 0.83 KDM4E (0.58) NPC1HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL13460823 0.82 PPARA (0.47) NPC1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL3417120 0.81 PPARA (0.49) NPC1HPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL13433361 0.81 PPARA (0.59) PPARAPPARGPPARD

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 4 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

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 AKR1C3 230/4885NPC1 424/4885HPGD 2617/4885

“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.