SCHEMBL3418629

SCHEMBL3418629

COc1ccc(-c2cccc(CO)c2)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.45
PPARG P37231 3/20 0.45
PPARD Q03181 3/20 0.45
HDAC1 Q13547 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
HTT P42858 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 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
SCHEMBL3416367 0.89 PPARG (0.44) PPARAPPARGPPARDHDAC1ITGA4
SCHEMBL12053395 0.87 HDAC1 (0.45) HDAC1MTNR1AMTNR1BCTSBCTSS
SCHEMBL5031762 0.87 PPARA (0.45) PPARAPPARGPPARDMTNR1AMTNR1B
SCHEMBL16410240 0.84 BRD4 (0.53) HDAC1CTSBCTSSCTSKBRD4
SCHEMBL3415307 0.84 PPARD (0.63) PPARAPPARGPPARDHDAC1MTNR1A
SCHEMBL3416346 0.84 PPARG (0.53) PPARAPPARGPPARDHDAC1MTNR1A
SCHEMBL13433354 0.84 SYK (0.45) PPARAPPARGPPARDHDAC1ITGA4
SCHEMBL3413605 0.83 PPARG (0.45) PPARAPPARGPPARDHDAC1ITGA4
SCHEMBL3416004 0.82 PPARA (0.51) PPARAPPARGPPARDITGA4ITGB7
SCHEMBL6242494 0.81 HDAC1 (0.55) HDAC1CTSBCTSSCTSKBRD4

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 PPARA 130/4885PPARG 238/4885PPARD 689/4885

“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.