SCHEMBL4040220

SCHEMBL4040220

NC(Cc1ccc(F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.41
FAP Q12884 3/20 0.41
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
TSHR P16473 1/20 0.38
MC4R P32245 1/20 0.37
MC3R P41968 1/20 0.37
MC1R Q01726 1/20 0.37
FKBP1A P62942 1/20 0.37
TACR1 P25103 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
SCHEMBL4043887 0.93 DPP4 (0.46) DPP4FAPDPP8DPP9DPP7
SCHEMBL4044857 0.90 DPP4 (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL4043109 0.88 ALDH1A1 (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL4044930 0.88 DPP4 (0.38) DPP4FAPDPP8DPP9DPP7
SCHEMBL4045457 0.86 FKBP1A (0.39) TSHRFKBP1A
SCHEMBL4038231 0.86 SMYD3 (0.39) DPP4DPP8DPP9DPP7TSHR
SCHEMBL4043420 0.86 SMYD3 (0.39) TSHRFKBP1A
SCHEMBL4044306 0.85 DPP4 (0.39) DPP4DPP8DPP9DPP7TSHR
SCHEMBL4044945 0.85 DPP4 (0.41) DPP4FAPDPP8DPP9DPP7
SCHEMBL4044950 0.85 DPP4 (0.39) DPP4TSHRFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS DPP4 3448/4885FAP 3455/4885DPP8 947/4885

“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.