SCHEMBL5031938

SCHEMBL5031938

O=C(NCc1cccc(CC2(C(=O)O)CCCO2)c1)OCc1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 7/20 0.38
PPARA Q07869 7/20 0.38
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP1 P29466 1/20 0.34
PADI3 Q9ULW8 1/20 0.33
PADI4 Q9UM07 1/20 0.33

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
SCHEMBL5037106 0.89 PPARG (0.43) TSHRPPARGPPARACYP3A4CYP2C9
SCHEMBL5032892 0.89 PPARG (0.41) TSHRSMN1; SMN2PPARGPPARA
SCHEMBL5029862 0.87 EPHX2 (0.40) TSHRSMN1; SMN2PPARGPPARACYP3A4
SCHEMBL5034521 0.82 MGLL (0.45) PPARGPPARACYP3A4CYP2C9CYP2C19
SCHEMBL5032002 0.82 PPARG (0.45) PPARGPPARACYP3A4CYP2C9CYP2C19
SCHEMBL5031811 0.81 PPARG (0.37) PPARGPPARA
SCHEMBL5034484 0.78 LMNA (0.43) SMN1; SMN2PPARGPPARACYP3A4CYP2C19
SCHEMBL5034512 0.76 CHRM3 (0.42) PPARGPPARA
SCHEMBL5031759 0.75 PPARG (0.42) TSHRPPARGPPARA
SCHEMBL5032927 0.75 ALDH1A1 (0.43) SMN1; SMN2PPARGPPARACYP3A4CYP2C9

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-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD TSHR 219/4885SMN1; SMN2 4707/4885PPARG 2/4885

“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.