SCHEMBL4695074

SCHEMBL4695074

CC(C)(C)c1ccc(-c2cc(C(=O)O)n[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MITF O75030 1/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
MEN1 O00255 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
NR2F2 P24468 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HCAR2 Q8TDS4 10/20 0.46
DAO P14920 1/20 0.46
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
HCAR3 P49019 2/20 0.42
NOTUM Q6P988 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL69008 0.84 MEN1 (0.50) KMT2ATP53MEN1POLBMAPT
SCHEMBL1413993 0.82 HCAR2 (0.55) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL70360 0.82 CA12 (0.53) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL29019950 0.80 MEN1 (0.51) KMT2AALDH1A1TP53MEN1NPC1
SCHEMBL18216836 0.80 ALDH1A1 (0.65) KMT2AMITFALDH1A1TP53MEN1
SCHEMBL20764077 0.80 KMT2A (0.58) KMT2AMITFALDH1A1TP53NPC1
SCHEMBL69492 0.80 MEN1 (0.58) KMT2AALDH1A1TP53MEN1NPC1
SCHEMBL1413865 0.79 ALPL (0.53) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL19996893 0.79 MEN1 (0.50) KMT2AMEN1POLBMAPTHCAR2
SCHEMBL1413926 0.79 MEN1 (0.54) KMT2AALDH1A1TP53MEN1POLB

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 KMT2A 3655/4885MITF 1669/4885ALDH1A1 785/4885

“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.