SCHEMBL4688302

SCHEMBL4688302

CCc1c(-c2ccc(C(C)(C)C)cc2)nn(CCc2ccccc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.47
SORT1 Q99523 2/20 0.47
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
PTGS2 P35354 1/20 0.38
TP53 P04637 2/20 0.38
MDM2 Q00987 1/20 0.38
ESRRG P62508 1/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
LMNA P02545 1/20 0.36
SLC5A1 P13866 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4693225 0.80 ALDH1A1 (0.45) RAB9ANPC1NR1H4PTGS2TP53
SCHEMBL4682097 0.79 PTGDR2 (0.51)
SCHEMBL4681192 0.77 TRPM2 (0.41) LMNA
SCHEMBL4689445 0.74 GRN (0.66) GRNSORT1TMEM97SIGMAR1NR1H4
SCHEMBL4682706 0.72 PTGER4 (0.48) TP53GAA
SCHEMBL10172743 0.71 SMN1; SMN2 (0.48) TP53FLT1KDRLMNAPOLB
SCHEMBL4689580 0.70 CYP19A1 (0.47) GRNSORT1MDM2POLB
SCHEMBL4688300 0.69 SMN1; SMN2 (0.64) GRNSORT1RAB9ANPC1TP53
SCHEMBL4682043 0.68 PTGER4 (0.50) TP53
SCHEMBL4691266 0.67 L3MBTL1 (0.44) RAB9ANPC1NR1H4TP53LMNA

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
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

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 GRN 4143/4885SORT1 4670/4885TMEM97 452/4885

“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.