SCHEMBL4131691

SCHEMBL4131691

COc1cccc(Sc2sc(CCNC(=O)O)nc2-c2ccccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EDNRA P25101 1/20 0.40
TP53 P04637 2/20 0.40
DHFR P00374 1/20 0.39
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CLK1 P49759 1/20 0.38
DHODH Q02127 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
MAPK14 Q16539 1/20 0.37
BAP1 Q92560 1/20 0.37

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
SCHEMBL4137742 0.89 GSK3B (0.38) MAPTEDNRATP53DHFREGFR
SCHEMBL4125428 0.88 MAPT (0.38) MAPTGAASMN1; SMN2TP53LMNA
SCHEMBL4120354 0.87 CTSA (0.35) MAPTSMN1; SMN2TP53LMNA
SCHEMBL3807956 0.86 MAPT (0.36) MAPTSMN1; SMN2TP53LMNAMTNR1A
SCHEMBL4131864 0.85 MAPT (0.35) MAPTSMN1; SMN2TP53LMNAMTNR1A
SCHEMBL2839246 0.84 EDNRA (0.41) MAPTGAASMN1; SMN2EDNRAHTT
SCHEMBL4131683 0.83 EDNRA (0.40) MAPTGAASMN1; SMN2EDNRADHFR
SCHEMBL3649791 0.82 RAB9A (0.41) MAPTGAASMN1; SMN2EDNRATP53
SCHEMBL4126518 0.80 MAPK1 (0.38) MAPTSMN1; SMN2HTTLMNADHODH
SCHEMBL4119867 0.80 MAPT (0.41) MAPTGAASMN1; SMN2TP53PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 MAPT 4258/4885GAA 7/4885SMN1; SMN2 4327/4885

“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.