SCHEMBL3756293

SCHEMBL3756293

CC(C)C(O)c1ccn(Cc2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.37
CCR2 P41597 1/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
ENPP2 Q13822 1/20 0.34
MAPK8 P45983 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL3748589 0.74 CACNA1H (0.39) LMNATSHR
SCHEMBL20821060 0.74 LMNA (0.50) LMNATSHRCYP3A4MEN1KMT2A
SCHEMBL2661348 0.74 CCR2 (0.41) PTGDR2LMNATSHRCYP3A4MEN1
SCHEMBL26202004 0.65 CYP19A1 (0.46) LMNAMEN1KMT2A
SCHEMBL28140205 0.65 CYP11B1 (0.63) CYP3A4CYP2D6
SCHEMBL3754049 0.65 GAA (0.33)
SCHEMBL3750687 0.65 PPARG (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL13264889 0.63 ENPP2 (0.54) LMNATSHRCYP3A4MEN1KMT2A
SCHEMBL1319533 0.63 ENPP2 (0.54) LMNATSHRCYP3A4MEN1KMT2A
SCHEMBL19938059 0.62 LMNA (0.56) LMNATSHRCYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292143-A1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-11-18 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-20100292143-A1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION GCK, PCK1, GCKR PTGDR2 1495/4885LMNA 3790/4885TSHR 3082/4885

“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.