SCHEMBL9922388

SCHEMBL9922388

NS(=O)(=O)c1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3cccs3)cc1F)C(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.42
CA1 P00915 9/20 0.42
CA12 O43570 6/20 0.42
CA9 Q16790 6/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
CA7 P43166 4/20 0.37
CA5A P35218 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
RORC P51449 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KCNA1 Q09470 1/20 0.34
KCNAB1 Q14722 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
SCHEMBL12177244 0.92 MEN1 (0.39) CA2CA1CA12CA9MEN1
SCHEMBL9922383 0.90 KMT2A (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL9922958 0.90 PTGER3 (0.42) MEN1KMT2AALDH1A1LMNARORC
SCHEMBL14228358 0.90 KMT2A (0.39) MEN1KMT2AALDH1A1LMNARORC
SCHEMBL9922366 0.89 KMT2A (0.38) MEN1KMT2AALDH1A1LMNARORC
SCHEMBL9922175 0.89 KMT2A (0.38) MEN1KMT2AALDH1A1LMNARORC
SCHEMBL13638607 0.89 MEN1 (0.42) MEN1KMT2AALDH1A1LMNARORC
SCHEMBL9922950 0.88 KMT2A (0.43) CA2CA1CA12CA9MEN1
SCHEMBL9922398 0.87 MEN1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL12161564 0.87 PTGER1 (0.39) MEN1KMT2AALDH1A1LMNARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 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 (2 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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 CA2 2120/4885CA1 4531/4885CA12 4625/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 CA2 2119/4885CA1 4517/4885CA12 4616/4885

“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.