SCHEMBL2297702

SCHEMBL2297702

COc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CNc1ccc(SC(C)(C)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.41
PDCD1LG2 Q9BQ51 3/20 0.40
CD274 Q9NZQ7 3/20 0.40
FFAR1 O14842 7/20 0.38
FRK P42685 1/20 0.37
CAMK2B Q13554 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37
GCGR P47871 3/20 0.37
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
TRPV3 Q8NET8 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2305001 0.89 CD274 (0.45) PDCD1LG2CD274PPARAPPARGPPARD
SCHEMBL2298014 0.86 FFAR1 (0.41) FFAR1FRKCAMK2BCAMK2GCAMK2D
SCHEMBL2302621 0.83 CD274 (0.42) PDCD1LG2CD274
SCHEMBL2302122 0.81 FFAR1 (0.59) FFAR1GCGRPPARAPPARGPPARD
SCHEMBL14931880 0.77 SLC22A12 (0.42) SLC22A12GCGRPPARAPPARGPPARD
SCHEMBL2300745 0.73 FFAR1 (0.47) PDCD1LG2CD274FFAR1MAPT
SCHEMBL2298839 0.73 FFAR1 (0.58) FFAR1GCGR
SCHEMBL2300364 0.73 PPARA (0.56) PDCD1LG2CD274PPARAPPARGPPARD
SCHEMBL12427069 0.71 TRPV3 (0.45) TRPV3
SCHEMBL2302843 0.70 CD274 (0.46) PDCD1LG2CD274MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461183-B2 PPAR agonist compounds, preparation and uses GENFIT (FR) 2013-06-11 US claimed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP claimed
US-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES GENFIT (FR) 2011-08-11 US claimed
WO-2016149299-A1 THERAPEUTIC COMPOUNDS THAT SUPPRESS PROTEIN ARGININE METHYLTRANSFERASE ACTIVITY FOR REDUCING TUMOR CELL PROLIFERATION EPINOVA THERAPEUTICS CORP. (US) 2016-09-22 WO disclosed
US-20160271149-A1 THERAPEUTIC COMPOUNDS THAT SUPPRESS PROTEIN ARGININE METHYLTRANSFERASE ACTIVITY FOR REDUCING TUMOR CELL PROLIFERATION EPINOVA THERAPEUTICS CORP. 2016-09-22 US disclosed
US-8461183-B2 PPAR agonist compounds, preparation and uses GENFIT (FR) 2013-06-11 US disclosed
EP-2310371-B1 PPAR AGONIST COMPOUNDS AND PREPARATION AND USES THEREOF FOR TREATING DIABETES AND/OR DYSLIPIDEMIA GENFIT (FR) 2013-05-15 EP disclosed
US-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES GENFIT (FR) 2011-08-11 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-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES PPARD, PPARA, PPARG SLC22A12 2666/4885PDCD1LG2 2226/4885CD274 2428/4885

“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.