SCHEMBL4689814

SCHEMBL4689814

CC(C)(C)c1ccc(-c2cc(C(=O)O)n(Cc3ccccc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 6/20 0.64
▸ SORT1 Q99523 6/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ POLB P06746 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ MAPT P10636 3/20 0.55
▸ MARS1 P56192 3/20 0.53
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ GALR3 O60755 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CCR9 P51686 1/20 0.45

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
SCHEMBL28767211 0.95 GRN (0.61) GRNSORT1SMN1; SMN2POLBTDP1
SCHEMBL4689445 0.88 GRN (0.66) GRNSORT1SMN1; SMN2POLBTDP1
SCHEMBL27687138 0.87 SMN1; SMN2 (0.69) GRNSORT1SMN1; SMN2POLBTDP1
SCHEMBL14144797 0.86 SMN1; SMN2 (0.81) GRNSORT1SMN1; SMN2POLBTDP1
SCHEMBL4692309 0.84 PPARG (0.54) GRNSORT1SMN1; SMN2POLBTDP1
SCHEMBL27687135 0.84 MARS1 (0.65) GRNSORT1SMN1; SMN2POLBTDP1
SCHEMBL28765765 0.83 ALDH1A1 (0.56) GRNSORT1SMN1; SMN2POLBTDP1
SCHEMBL2333453 0.83 POLB (0.53) GRNSORT1POLBMAPTMARS1
SCHEMBL4692297 0.80 PPARG (0.57) GRNSORT1MAPTMARS1NPSR1
SCHEMBL7739178 0.80 GRN (0.79) GRNSORT1MAPTNPSR1GAA

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
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

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 4670/4885SMN1; SMN2 3739/4885

“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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