SCHEMBL4688189

SCHEMBL4688189

Cn1nc(C(=O)O)cc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.61
▸ PPARG P37231 2/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ CHRNB2 P17787 7/20 0.46
▸ CHRNB4 P30926 7/20 0.46
▸ CHRNA3 P32297 7/20 0.46
▸ CHRNA4 P43681 7/20 0.46
▸ RPA1 P27694 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ PPP1CA P62136 1/20 0.43
▸ MARS1 P56192 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GRM5 P41594 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
SCHEMBL27656186 0.87 CHRNB2 (0.60) NR1H4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL570061 0.82 RPA1 (0.63) RPA1SMN1; SMN2ALDH1A1PPP1CAMARS1
SCHEMBL2565035 0.81 RPA1 (0.66) RPA1SMN1; SMN2PPP1CAMARS1L3MBTL1
SCHEMBL4689569 0.81 RPA1 (0.48) RPA1SMN1; SMN2ALDH1A1PPP1CAL3MBTL1
SCHEMBL1413877 0.81 KMT2A (0.58) CHRNB2CHRNB4CHRNA3CHRNA4RPA1
SCHEMBL4692489 0.81 MARS1 (0.60) NR1H4PPARGPPARARPA1SMN1; SMN2
SCHEMBL4693346 0.81 FAAH (0.56) NR1H4PPARGPPARACHRNB2CHRNB4
SCHEMBL20656279 0.80 RPA1 (0.47) PPARGPPARARPA1SMN1; SMN2ALDH1A1
SCHEMBL4690961 0.79 PPARG (0.60) NR1H4PPARGPPARAMARS1
SCHEMBL4746928 0.79 MDM2 (0.58) PPARGPPARARPA1SMN1; SMN2ALDH1A1

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
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 — — EP disclosed
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 — — EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 — — US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 — — US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 — — 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 (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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG NR1H4 73/4885PPARG 3/4885PPARA 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.

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