SCHEMBL7510772

SCHEMBL7510772

CC(C)CNS(=O)(=O)c1ccc(N(C(=O)c2ccccc2)c2cc(S(C)(=O)=O)ccc2Oc2cccc(C#N)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
LMNA P02545 1/20 0.41
TBXA2R P21731 2/20 0.39
KAT6A Q92794 5/20 0.39
BRD4 O60885 3/20 0.38
PLA2G7 Q13093 1/20 0.37
ADAM17 P78536 1/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP13 P45452 1/20 0.36
PGR P06401 1/20 0.35
EPAS1 Q99814 1/20 0.35
P4HB P07237 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL890850 0.77 F10 (0.51) LMNATBXA2RBRD4ADAMTS4MMP13
SCHEMBL890914 0.73 GPR55 (0.47) LMNAADAMTS4MMP13
SCHEMBL890607 0.71 F10 (0.49) LMNAEPAS1PTGDR2
SCHEMBL890596 0.70 F10 (0.48) LMNAADAMTS4MMP13
SCHEMBL1341922 0.70 F10 (0.49) LMNAADAMTS4MMP13
SCHEMBL27585347 0.66 F10 (0.57)
SCHEMBL7975096 0.66 BRD4 (0.56) BRD4EPAS1
SCHEMBL890823 0.66 BRD4 (0.53) BRD4EPAS1
SCHEMBL3510232 0.64 PGR (0.52) BRD4PGREPAS1
SCHEMBL7451725 0.64 ADAMTS4 (0.39) HSP90AA1HSP90AB1PDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation MILLENNIUM PHARMACEUTICALS, INC. 2002-01-03 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-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation F2, F12, PLAT HSP90AA1 2722/4885HSP90AB1 3190/4885PDK1 301/4885

“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.