SCHEMBL4340665

SCHEMBL4340665

CCOc1ccc(NC(=O)OCc2ccc(CC(OC(C)C)C(=O)O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.52
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
PPARG P37231 10/20 0.47
PPARD Q03181 7/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.44
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4327318 1.00 PPARA (0.52) PPARATP53MAPTPPARGPPARD
SCHEMBL4328008 0.90 TP53 (0.47) PPARATP53MAPTPPARGPPARD
SCHEMBL4335156 0.89 NPC1 (0.50) PPARATP53MAPTPPARGNPC1
SCHEMBL4339204 0.89 MGLL (0.47) PPARATP53MAPTPPARGPPARD
SCHEMBL13810562 0.87 PPARG (0.42) PPARATP53MAPTPPARGPPARD
SCHEMBL4341654 0.86 PPARG (0.48) PPARATP53MAPTPPARGPPARD
SCHEMBL4329788 0.86 POLB (0.51) PPARATP53MAPTPPARGPPARD
SCHEMBL4343697 0.85 GAA (0.44) PPARATP53MAPTPPARGPPARD
SCHEMBL4335537 0.85 KMT2A (0.58) PPARAPPARGPPARDSMN1; SMN2POLB
SCHEMBL4327189 0.85 PPARG (0.48) PPARAMAPTPPARGPPARDNPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-10 US claimed
EP-1607103-A1 CONCOMITANT DRUG AS THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Eisai Co., Ltd. (JP) 2005-12-21 EP claimed
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-10 US disclosed
EP-1607103-A1 CONCOMITANT DRUG AS THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Eisai Co., Ltd. (JP) 2005-12-21 EP disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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 (2 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 PPARA 339/4885TP53 4574/4885MAPT 4654/4885
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease PPARG, PPARA, NR3C1 PPARA 2/4885TP53 3733/4885MAPT 2829/4885

“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.