SCHEMBL3454115

SCHEMBL3454115

NS(=O)(=O)c1c(-c2cccnc2)cc2ccccc2c1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 14/20 0.51
GPR84 Q9NQS5 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP11B2 P19099 13/20 0.45
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3454119 0.80 MAPT (0.46) CYP11B1GPR84POLBMAPTNPSR1
SCHEMBL3717538 0.75 CA12 (0.43) POLBMAPTNPSR1RAB9ACA12
SCHEMBL27848151 0.74 CYP11B1 (0.51) CYP11B1GPR84POLBMAPTCYP11B2
SCHEMBL4508899 0.70 CYP11B1 (1.00) CYP11B1GPR84CYP11B2
SCHEMBL3454455 0.69 THRA (0.43) POLBMAPTNPSR1CA12CA1
SCHEMBL14100945 0.68 MAPT (0.54) CYP11B1POLBMAPTNPSR1CYP11B2
SCHEMBL13249061 0.66 CYP11B1 (0.68) CYP11B1GPR84CYP11B2
SCHEMBL4789958 0.66 CTNNB1 (0.47)
Diphenylether SCHEMBL29220492 0.66 CYP2A6 (0.65) CYP11B1POLBMAPTNPSR1CYP11B2
SCHEMBL12887013 0.65 TNF (0.44) CYP11B1GPR84POLBMAPTNPSR1

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-7816382-B2 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070004677-A1 Linear urea mimics antagonists of P2Y1 receptor useful in the treatment of thrombotic condition P2RY1, P2RY11, UTS2R CYP11B1 1303/4885GPR84 149/4885POLB 2945/4885

“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.