SCHEMBL3754049

SCHEMBL3754049

CC(C)C(O)c1ccn(Cc2cccc(F)c2F)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
DPP4 P27487 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RIPK1 Q13546 1/20 0.31
P2RX7 Q99572 1/20 0.31
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30
ALKBH1 Q13686 1/20 0.30
CASR P41180 1/20 0.30
F2 P00734 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL13504236 0.78 RIPK1 (0.36) GAAGPR119DPP4ALDH1A1RIPK1
SCHEMBL3750687 0.78 PPARG (0.43) ALDH1A1
SCHEMBL3748589 0.74 CACNA1H (0.39) ALDH1A1
SCHEMBL2662171 0.73 PTGDR2 (0.36) GAADPP4RIPK1P2RX7ALKBH1
SCHEMBL27565475 0.66 GABRA1 (0.41) DPP4ALDH1A1RIPK1
SCHEMBL3756293 0.65 PTGDR2 (0.38)
SCHEMBL8252287 0.62 GABRA1 (0.54) DPP4RIPK1
SCHEMBL14402658 0.61 RIPK1 (0.42) GAADPP4RIPK1P2RX7
SCHEMBL20090412 0.60 RIPK1 (0.44) GPR119DPP4ALDH1A1RIPK1P2RX7
Propylene Glycol SCHEMBL27913925 0.60 TDP1 (0.46)

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 GAA 170/4885GPR119 76/4885DPP4 64/4885

“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.