SCHEMBL2543341

SCHEMBL2543341

O=C(NCc1ccccc1SC1CC1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
RIPK1 Q13546 2/20 0.39
P2RX7 Q99572 3/20 0.37
CDK5 Q00535 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NTRK1 P04629 2/20 0.36
LMNA P02545 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HPGD P15428 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL7367629 0.80 LMNA (0.50) RIPK1CDK5TAOK1CLK4NTRK1
SCHEMBL7367349 0.77 RIPK1 (0.47) RIPK1CDK5TAOK1CLK4NTRK1
SCHEMBL394807 0.74 RIPK1 (0.65) RIPK1P2RX7LMNANPC1RAB9A
SCHEMBL2538364 0.73 RIPK1 (0.42) RIPK1LMNAHDAC6
SCHEMBL8061739 0.72 TSHR (0.52) RIPK1CDK5TAOK1CLK4RAB9A
SCHEMBL2778215 0.72 RIPK1 (0.46) MTNR1AMTNR1BRIPK1CDK5TAOK1
SCHEMBL5006708 0.71 RIPK1 (0.41) MTNR1AMTNR1BRIPK1P2RX7HDAC1
SCHEMBL18708227 0.71 RIPK1 (0.45) MTNR1AMTNR1BRIPK1CDK5TAOK1
SCHEMBL1328998 0.71 CYP1A2 (0.46) MTNR1AMTNR1BRIPK1CDK5TAOK1
SCHEMBL5913900 0.71 HPGD (0.49) RIPK1CDK5TAOK1CLK4HDAC1

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-8044242-B2 2-(aryloxy) acetamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
US-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2009-05-21 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-20090131473-A1 2-(ARYLOXY) ACETAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F12 MTNR1A 1507/4885MTNR1B 1128/4885RIPK1 4192/4885

“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.