SCHEMBL4336772

SCHEMBL4336772

CC(C)O[C@@H](Cc1cccc(CNC(=O)OCc2ccnc3ccccc23)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
NSD2 O96028 1/20 0.41
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
DNMT1 P26358 1/20 0.39
DNMT3A Q9Y6K1 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
KCNA5 P22460 2/20 0.38
NAMPT P43490 1/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 2/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL4336778 1.00 EPHX1 (0.42) EPHX1NSD2ADAMTS4MMP13TNKS
SCHEMBL4339550 0.83 PPARG (0.46) EPHX1KCNA5PPARGPPARASMN1; SMN2
SCHEMBL4336775 0.83 EPHX1 (0.41) EPHX1NSD2ADAMTS4MMP13TNKS
SCHEMBL4329717 0.81 CYSLTR1 (0.49)
SCHEMBL4329708 0.81 CYSLTR1 (0.49)
SCHEMBL4329917 0.81 DNMT1 (0.40) ADAMTS4MMP13DNMT1DNMT3APPARG
SCHEMBL4339545 0.80 PIN1 (0.43) TNKSTNKS2SMN1; SMN2
SCHEMBL4339543 0.80 PIN1 (0.43) TNKSTNKS2SMN1; SMN2
SCHEMBL4333374 0.80 PPARA (0.46) KCNA5PPARGPPARAPPARD
SCHEMBL4329382 0.79 MAPT (0.47) CTSLCTSSKCNA5NAMPTPPARG

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 EPHX1 1708/4885NSD2 2400/4885ADAMTS4 4489/4885

“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.