SCHEMBL4112642

SCHEMBL4112642

CCc1ccc(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.61
CA12 O43570 4/20 0.60
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA9 Q16790 4/20 0.60
GHSR Q92847 1/20 0.58
NPC1 O15118 3/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
AKR1C3 P42330 1/20 0.54
CA4 P22748 1/20 0.53

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
SCHEMBL4113855 0.86 RAB9A (0.79) RAB9ACA12CA1CA2CA9
SCHEMBL17316258 0.85 RAB9A (0.59) RAB9ACA12CA1CA2CA9
SCHEMBL172035 0.82 CA2 (0.64) CA2KMT2ATP53AKR1C3PTGS2
SCHEMBL9913187 0.81 PTGS2 (0.72) RAB9ACA12CA1CA2CA9
SCHEMBL12793734 0.81 PTGS2 (0.72) RAB9ACA12CA1CA2CA9
SCHEMBL22187348 0.80 ENPP1 (0.58) RAB9ACA12CA1CA2CA9
SCHEMBL12224808 0.80 MEN1 (0.63) RAB9AKMT2AMEN1POLBGAA
SCHEMBL4113545 0.80 MAPT (0.68) RAB9ACA12CA1CA2CA9
SCHEMBL4920494 0.79 PTGS2 (0.73) RAB9ACA12CA1CA2CA9
SCHEMBL12049668 0.79 KMT2A (0.71) KMT2ATGM2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 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-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 RAB9A 815/4885CA12 4452/4885CA1 3551/4885

“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.