SCHEMBL3454455

SCHEMBL3454455

NS(=O)(=O)c1cc(Cl)c(Oc2ccccc2)c(Cl)c1-c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
P2RX4 Q99571 1/20 0.41
CA12 O43570 3/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTGES2 Q9H7Z7 2/20 0.39
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL3454063 0.81 P2RX4 (0.43) P2RX4CA12CA2CA1CA9
SCHEMBL3717532 0.76 CA12 (0.47) P2RX4CA12CA2CA1CA9
SCHEMBL3717538 0.76 CA12 (0.43) THRATHRBCA12CA2CA1
SCHEMBL29808069 0.69 CA2 (0.58) CA12CA2CA1CA9RXFP1
SCHEMBL3454451 0.69 ALDH1A1 (0.61) LMNACYP3A4ALDH1A1KMT2ATDP1
SCHEMBL3454115 0.69 CYP11B1 (0.51) CA12CA2CA1NPSR1POLB
SCHEMBL3454119 0.69 MAPT (0.46) CA12CA2CA1CA9NPSR1
SCHEMBL14100945 0.69 MAPT (0.54) NPSR1POLBMAPTLMNACYP3A4
SCHEMBL13571458 0.68 PKM (0.41) CA12CA2CA1CA9RXFP1
SCHEMBL13571460 0.68 PKM (0.41) CA12CA2CA1CA9MAPT

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 THRA 453/4885THRB 344/4885P2RX4 23/4885

“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.