SCHEMBL9922211

SCHEMBL9922211

O=C(Nc1ccc(N2C(=O)Cc3ccc(C(F)(F)F)cc3C2=O)nc1)NS(=O)(=O)c1ccc(F)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FBP1 P09467 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34
STAT3 P40763 1/20 0.34
POLB P06746 1/20 0.34
APP P05067 2/20 0.33
CA12 O43570 5/20 0.33
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
CA4 P22748 4/20 0.33
CA7 P43166 4/20 0.33
TRPV1 Q8NER1 2/20 0.33
HRH3 Q9Y5N1 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL12160911 0.92 APP (0.41) MAPTKDM4ESMN1; SMN2FBP1ALDH1A1
SCHEMBL9922213 0.91 CA12 (0.36) FBP1GAAAPPCA12CA1
SCHEMBL9922209 0.90 CA12 (0.36) MAPTKDM4EFBP1GAAAPP
SCHEMBL9922182 0.89 CA12 (0.33) FBP1CA12CA1CA2CA9
SCHEMBL12177301 0.89 CA12 (0.33) FBP1CA12CA1CA2CA9
SCHEMBL9922214 0.89 FBP1 (0.36) MAPTFBP1CA12CA1CA2
SCHEMBL13638706 0.89 MEN1 (0.36) SMN1; SMN2FBP1ALDH1A1GAACA12
SCHEMBL9922210 0.88 CA12 (0.41) CA12CA1CA2CA9CA4
SCHEMBL14228254 0.88 FPR2 (0.36) FBP1CA12CA1CA2CA9
SCHEMBL9922415 0.87 GRM1 (0.37) FBP1GAACA12CA1CA2

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 9 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-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-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
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 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 MAPT 4832/4885KDM4E 2302/4885SMN1; SMN2 3108/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 MAPT 4832/4885KDM4E 2312/4885SMN1; SMN2 3093/4885

“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.