SCHEMBL4328015

SCHEMBL4328015

CCOc1ccc(NC(=O)OCc2ccccc2CC(OC(C)C)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 7/20 0.47
TP53 P04637 4/20 0.47
HPGD P15428 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
FAAH O00519 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
MITF O75030 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.42
EGFR P00533 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 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
SCHEMBL4335160 0.89 LMNA (0.48) NPC1RAB9ATP53HPGDCRHBP
SCHEMBL4329791 0.89 LMNA (0.44) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4341658 0.87 MAPT (0.48) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL4335538 0.86 KMT2A (0.45) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4327192 0.86 CYP1A2 (0.56) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4335130 0.86 FPR2 (0.47) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL4341925 0.85 ALDH1A1 (0.40) NPC1RAB9ATP53HPGDCRHBP
SCHEMBL4327318 0.85 PPARA (0.52) NPC1RAB9ATP53HPGDFAAH
SCHEMBL4340665 0.85 PPARA (0.52) NPC1RAB9ATP53HPGDFAAH
SCHEMBL6727481 0.84 MAPT (0.47) NPC1RAB9ATP53HPGDSMN1; 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 7 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
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
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 NPC1 603/4885RAB9A 2956/4885TP53 4574/4885
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease PPARG, PPARA, NR3C1 NPC1 3799/4885RAB9A 4352/4885TP53 3733/4885

“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.