SCHEMBL3755953

SCHEMBL3755953

O=S(=O)(c1ccn(Cc2ccc(Cl)c(F)c2)c1)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 2/20 0.34
PTGER3 P43115 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FEN1 P39748 1/20 0.33
GAA P10253 1/20 0.33
GRM2 Q14416 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
SCHEMBL2661832 0.78 PTGER3 (0.38) CCR2PTGER3ALDH1A1
SCHEMBL15104129 0.71 SCN3A (0.38) NPC1PTGER3MAPTKDM4E
SCHEMBL15104319 0.70 PTGER3 (0.33) PTGER3
SCHEMBL15104179 0.69 SCN3A (0.36) NPC1PTGER3ALDH1A1MAPTKDM4E
SCHEMBL13504170 0.69 SCN3A (0.36) PTGER3ALDH1A1NPSR1
SCHEMBL15104304 0.68 PTGER3 (0.34) CCR2PTGER3ALDH1A1
SCHEMBL2660789 0.67 POLB (0.38) PTGER3ALDH1A1MAPTKDM4ENPSR1
SCHEMBL2660910 0.65 RAB9A (0.40) PTGER3MAPT
SCHEMBL17340520 0.62 MEN1 (0.51) CCR2PKMALDH1A1MAPT
SCHEMBL29186495 0.62 PKM (0.50) CCR2NPC1PKMALDH1A1MAPT

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 CCR2 2909/4885NPC1 3612/4885PKM 37/4885

“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.