SCHEMBL9923245

SCHEMBL9923245

O=C(Nc1ccc(N2C(=O)Cc3cc(NCCCN4CCOCC4)ccc3C2=O)cc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
RAD52 P43351 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.37
EPHX2 P34913 6/20 0.36
CNR1 P21554 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
PTGER3 P43115 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL9922838 0.96 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKMT2AEPHX2CNR1
SCHEMBL9923241 0.94 HRH3 (0.36) PTGER3
SCHEMBL9923239 0.93 HRH3 (0.37) PTGER3
SCHEMBL9922760 0.91 KMT2A (0.48) CRHBPCRHR2RAD52L3MBTL1SMN1; SMN2
SCHEMBL12161516 0.89 PTGER3 (0.37) EPHX2CNR1PTGER3
SCHEMBL9922811 0.89 PTGER3 (0.37) MAPTEPHX2CNR1PTGER3
SCHEMBL14113767 0.88 SMN1; SMN2 (0.41) CRHBPCRHR2RAD52L3MBTL1SMN1; SMN2
SCHEMBL12160786 0.86 KMT2A (0.43) SMN1; SMN2MAPTKMT2AEPHX2CNR1
SCHEMBL12177283 0.86 PTGER3 (0.38) PTGER3
SCHEMBL9922808 0.86 PTGER3 (0.38) KMT2AMEN1PTGER3

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 10 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-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 CRHBP 4828/4885CRHR2 4232/4885RAD52 4707/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 CRHBP 4828/4885CRHR2 4236/4885RAD52 4713/4885

“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.