SCHEMBL950416

SCHEMBL950416

CC(Sc1ccc2cc(Cl)ccc2c1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SDCBP O00560 3/20 0.39
SDC2 P34741 3/20 0.39
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
CTSL P07711 1/20 0.38
GLA P06280 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 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
SCHEMBL949696 0.77 PPARA (0.56) PPARGPPARATP53SMN1; SMN2KDM4E
SCHEMBL949023 0.77 PPARA (0.56) PPARGPPARATP53SMN1; SMN2KDM4E
SCHEMBL948236 0.75 CYP2C9 (0.45) PPARASDCBPSDC2TSHR
SCHEMBL947917 0.75 CYP2C9 (0.45) PPARASDCBPSDC2TSHR
SCHEMBL2836398 0.73 TRPA1 (0.52) TRPA1PPARGPPARASDCBPSDC2
SCHEMBL950417 0.72 IDO1 (0.39) PPARGPPARATP53SMN1; SMN2KDM4E
SCHEMBL950415 0.72 ALDH1A1 (0.51) PPARGPPARATP53SMN1; SMN2KDM4E
SCHEMBL947775 0.72 ALDH1A1 (0.51) PPARGPPARATP53SMN1; SMN2KDM4E
SCHEMBL3824377 0.70 TRPA1 (0.49) TRPA1PPARGPPARAALDH1A1MAPT
SCHEMBL25250420 0.70 CTSK (0.48) TRPA1PPARGPPARAGAACTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 TRPA1 1760/4885PPARG 1570/4885PPARA 1902/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 TRPA1 1998/4885PPARG 1603/4885PPARA 2010/4885

“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.