SCHEMBL4746928

SCHEMBL4746928

CC(C)c1ccc(-c2cc(C(=O)O)nn2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.58
MCL1 Q07820 5/20 0.58
BCL2 P10415 4/20 0.58
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
RPA1 P27694 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PPP1CA P62136 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MME P08473 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL2565035 0.84 RPA1 (0.66) RPA1SMN1; SMN2PPP1CAL3MBTL1CYP1A2
SCHEMBL28180312 0.82 MDM2 (0.81) MDM2MCL1BCL2RPA1SMN1; SMN2
SCHEMBL570061 0.82 RPA1 (0.63) MDM2MCL1BCL2RPA1SMN1; SMN2
SCHEMBL2565079 0.82 PPP1CA (0.64) RPA1SMN1; SMN2PPP1CA
SCHEMBL4689569 0.81 RPA1 (0.48) MCL1RPA1SMN1; SMN2PPP1CAL3MBTL1
SCHEMBL1413877 0.81 KMT2A (0.58) RPA1SMN1; SMN2PPP1CAL3MBTL1MME
SCHEMBL4695131 0.81 MME (0.55) MDM2MCL1BCL2PPARGPPARD
SCHEMBL4694701 0.81 FAAH (0.56) MDM2MCL1BCL2PPARGPPARD
SCHEMBL20656279 0.80 RPA1 (0.47) PPARGPPARARPA1SMN1; SMN2PPP1CA
SCHEMBL4688189 0.79 NR1H4 (0.61) PPARGPPARARPA1SMN1; SMN2PPP1CA

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 4 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
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 MDM2 2189/4885MCL1 3380/4885BCL2 3382/4885

“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.