SCHEMBL4334358

SCHEMBL4334358

COc1ccc(NC(=O)OCc2cc(CC(C(=O)O)C(=O)O)ccc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.52
TSHR P16473 4/20 0.48
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
FPR2 P25090 1/20 0.46
PPARA Q07869 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL13810385 0.93 SAE1 (0.46) LDHATSHRHIF1AKDM4EPOLB
SCHEMBL4340880 0.92 LDHA (0.48) LDHATSHRKDM4EPOLBSAE1
SCHEMBL4340268 0.91 LDHA (0.52) LDHAFPR2PPARASMN1; SMN2KMT2A
SCHEMBL4340426 0.91 LDHA (0.54) LDHATSHRHIF1AFPR2PPARA
SCHEMBL4338073 0.90 LDHA (0.51) LDHAPOLBFPR2PPARASMN1; SMN2
SCHEMBL4331833 0.89 LDHA (0.50) LDHATSHRHIF1AKDM4EPOLB
SCHEMBL4348582 0.88 MTNR1B (0.49) LDHATSHRPOLBSMN1; SMN2LMNA
SCHEMBL4343670 0.88 TSHR (0.44) TSHRHIF1AKDM4EPOLBSAE1
SCHEMBL4334763 0.87 PPARA (0.61) LDHAPPARA
SCHEMBL13810383 0.85 NPSR1 (0.47) LDHATSHRHIF1APPARASMN1; 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 LDHA 745/4885TSHR 532/4885HIF1A 447/4885

“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.