SCHEMBL3454063

SCHEMBL3454063

NS(=O)(=O)c1cc(Oc2ccccc2)c(Cl)c(-c2cccnc2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.43
CA12 O43570 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
CA1 P00915 3/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ALPL P05186 1/20 0.36
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 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
SCHEMBL3454455 0.81 THRA (0.43) P2RX4CA12CA2CA9CA1
SCHEMBL3717532 0.81 CA12 (0.47) P2RX4CA12CA2CA9CA1
SCHEMBL3454119 0.74 MAPT (0.46) CA12CA2CA9CA1CYP3A4
SCHEMBL3717538 0.71 CA12 (0.43) CA12CA2CA9CA1NPSR1
SCHEMBL4657647 0.70 CA12 (0.55) P2RX4CA12CA2CA9CA1
Diphenylether SCHEMBL29220492 0.67 CYP2A6 (0.65) CYP3A4CYP2C19NPSR1POLBMAPT
SCHEMBL29808069 0.66 CA2 (0.58) CA12CA2CA9CA1CYP3A4
SCHEMBL4789960 0.66 CTNNB1 (0.56) LMNAALDH1A1MAPK1HSD17B10
SCHEMBL13571458 0.66 PKM (0.41) CA12CA2CA9CA1CYP3A4
SCHEMBL13571460 0.66 PKM (0.41) CA12CA2CA9CA1CYP3A4

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 P2RX4 23/4885CA12 4582/4885CA2 3101/4885

“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.