SCHEMBL544677

SCHEMBL544677

O=C(Nc1nc2ccc(OS(=O)(=O)c3c(F)cccc3F)cc2s1)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.58
RIPK3 Q9Y572 13/20 0.55
RIPK1 Q13546 10/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
HSP90AA1 P07900 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL544192 0.89 CASP3 (0.60) RIPK3RIPK1NPC1RAB9ACASP3
SCHEMBL4404856 0.85 ABL1 (0.56) ABL1RIPK3RIPK1NPC1RAB9A
SCHEMBL4402171 0.85 ENPP3 (0.56) ABL1RIPK3RIPK1NPC1RAB9A
SCHEMBL544191 0.85 LCK (0.60) ABL1RIPK3RIPK1NPC1RAB9A
SCHEMBL544513 0.84 CASP3 (0.62) ABL1RIPK3RIPK1NPC1RAB9A
SCHEMBL4402209 0.82 MAPT (0.67) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL4394510 0.81 ENPP3 (0.60) ABL1NPC1RAB9ACASP3SENP8
SCHEMBL4404654 0.81 ENPP3 (0.62) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL4397027 0.80 ENPP3 (0.53) RIPK3RIPK1NPC1RAB9ACASP3
SCHEMBL544153 0.79 MET (0.67) ABL1NPC1RAB9AMEN1KMT2A

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
US-8110571-B2 Tyrosine kinase inhibitors; antiproliferation agents; metabolism diseases; antiallergens; central nervous system disorders; vision and skin disorders; antiarthritic agents AVENTIS PHARMA S.A. (FR) 2012-02-07 US disclosed
US-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors AVENTIS PHARMA S.A. (FR) 2008-08-14 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-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors MET, KIT, MERTK ABL1 6/4885RIPK3 4391/4885RIPK1 4375/4885

“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.