SCHEMBL4343604

SCHEMBL4343604

COc1ccc(NC(=O)OCCc2ccc(CC(OC(C)C)C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
KMT2A Q03164 1/20 0.45
LDHA P00338 1/20 0.45
FPR2 P25090 3/20 0.45
FFAR1 O14842 1/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 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
SCHEMBL4341184 0.90 LMNA (0.50) LMNATP53NPC1CYP1A2CYP2D6
SCHEMBL4335156 0.89 NPC1 (0.50) LMNATP53NPC1CYP1A2CYP2D6
SCHEMBL4333102 0.89 NPC1 (0.53) LMNATP53NPC1RAB9ASMN1; SMN2
SCHEMBL4336506 0.88 PPARA (0.48) NPC1HPGDRAB9ASMN1; SMN2PPARG
SCHEMBL4333076 0.87 LMNA (0.45) LMNATP53NPC1CYP1A2CYP2D6
SCHEMBL4327522 0.85 PPARA (0.47) SMN1; SMN2PPARGPPARAKMT2AFPR2
SCHEMBL4336960 0.84 LMNA (0.44) LMNATP53NPC1CYP1A2CYP2D6
SCHEMBL4333413 0.81 BLM (0.42) LMNATP53HPGDRAB9ASMN1; SMN2
SCHEMBL4328737 0.81 FPR2 (0.48) LMNATP53NPC1CYP1A2CYP2D6
SCHEMBL4343670 0.81 TSHR (0.44) NPC1CYP1A2CYP2D6CYP2C9HPGD

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-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-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 LMNA 3790/4885TP53 4574/4885NPC1 603/4885

“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.