SCHEMBL4333262

SCHEMBL4333262

COc1cccc(NC(=O)OCc2cccc(CC(C(=O)O)C(=O)O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
MTNR1B P49286 1/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
MGLL Q99685 2/20 0.52
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
THRB P10828 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
MITF O75030 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
KDM4E B2RXH2 1/20 0.48
CASR P41180 1/20 0.48
NLRP3 Q96P20 1/20 0.48

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
SCHEMBL13810339 0.93 RAB9A (0.54) USP2MTNR1BRAB9ANPC1MGLL
SCHEMBL4333325 0.89 FPR2 (0.54) MTNR1BRAB9ANPC1MGLLKMT2A
SCHEMBL4337094 0.89 MGLL (0.54) USP2MTNR1BRAB9ANPC1MGLL
SCHEMBL4341257 0.86 MGLL (0.60) RAB9ANPC1MGLLKMT2ASMN1; SMN2
SCHEMBL4348582 0.86 MTNR1B (0.49) USP2MTNR1BRAB9ANPC1KMT2A
SCHEMBL4341342 0.83 MGLL (0.54) RAB9ANPC1MGLLKMT2ATHRB
SCHEMBL13810333 0.83 MGLL (0.56) RAB9ANPC1MGLLKMT2ASMN1; SMN2
SCHEMBL4345827 0.82 MTNR1B (0.51) USP2MTNR1BRAB9ANPC1KMT2A
SCHEMBL13810338 0.82 RAB9A (0.49) MTNR1BRAB9ANPC1MGLLKMT2A
SCHEMBL4338093 0.82 MEN1 (0.56) RAB9ANPC1MGLLKMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US 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 (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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 USP2 4526/4885MTNR1B 74/4885RAB9A 2956/4885

“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.