SCHEMBL4262828

SCHEMBL4262828

CS(=O)(=O)c1ccc(CN2C(=O)C3(NC(=O)NC3=O)c3cc(F)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 11/20 0.46
AKR1A1 P14550 7/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PTGS2 P35354 1/20 0.38
PARK7 Q99497 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL4259273 0.88 PTGDR2 (0.41) AKR1B1PTGDR2CA12CA1CA2
SCHEMBL4257897 0.85 MAPT (0.40) AKR1B1PTGDR2
SCHEMBL4260419 0.85 PARK7 (0.51) AKR1B1AKR1A1PTGDR2PARK7
SCHEMBL4255745 0.84 AKR1B1 (0.47) AKR1B1AKR1A1PTGDR2PARK7
SCHEMBL10955668 0.83 AKR1B1 (0.47) AKR1B1AKR1A1PTGDR2PARK7
SCHEMBL4262827 0.83 AKR1B1 (0.47) AKR1B1AKR1A1PTGDR2
SCHEMBL4169552 0.81 AKR1B1 (0.45) AKR1B1AKR1A1PTGDR2PARK7
SCHEMBL4163964 0.81 AKR1B1 (0.41) AKR1B1AKR1A1
SCHEMBL4160449 0.80 AKR1B1 (0.45) AKR1B1AKR1A1PTGDR2PARK7
SCHEMBL4254334 0.78 AR (0.53) AKR1B1AKR1A1PTGDR2

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-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 US claimed
US-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 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-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV2, TRPV3 AKR1B1 366/4885AKR1A1 317/4885PTGDR2 193/4885

“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.