SCHEMBL3413883

SCHEMBL3413883

CCOc1ncc(-c2cccc(CC(=O)O)c2)cc1CNC(=O)c1ccc(OC(C)C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.39
PTGIR P43119 1/20 0.39
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
PPARD Q03181 3/20 0.38
HPGD P15428 2/20 0.38
FFAR1 O14842 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
POLB P06746 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
TP53 P04637 1/20 0.38
KCNB1 Q14721 1/20 0.38
PTPN11 Q06124 1/20 0.37
THRA P10827 1/20 0.37

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
SCHEMBL3417420 0.91 PTPN11 (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL3418619 0.89 SCN2A (0.45) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL3416566 0.89 NR1H4 (0.44) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL13460804 0.86 SCN2A (0.39) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL3416645 0.84 THRA (0.47) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL13433449 0.83 PPARG (0.47) PPARDPTPN11PPARG
SCHEMBL13433451 0.83 SCN2A (0.43) KMT2ALMNASCN2ASCN10APPARD
SCHEMBL13433435 0.82 PPARA (0.48) ALDH1A1LMNAPPARDHPGDNR1H4
SCHEMBL3415544 0.79 PPARD (0.47) KMT2ANPC1LMNASCN2ASCN10A
SCHEMBL3413468 0.78 PPARD (0.54) PPARDPPARG

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-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR ALDH1A1 1626/4885KMT2A 2276/4885MEN1 3653/4885

“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.