SCHEMBL5566519

SCHEMBL5566519

COC(=O)c1cc(O)c2cc(C#N)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.43
MMP13 P45452 1/20 0.42
PIN1 Q13526 1/20 0.41
DYRK1A Q13627 1/20 0.40
HSD17B14 Q9BPX1 1/20 0.40
LCK P06239 1/20 0.40
SCN9A Q15858 7/20 0.39
EGLN2 Q96KS0 1/20 0.38
GRM2 Q14416 1/20 0.37

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
SCHEMBL2907684 0.89 HSD17B14 (0.43) CYP11B2DYRK1AHSD17B14LCKSCN9A
SCHEMBL5560772 0.85 CYP11B2 (0.42) CYP11B2MMP13PIN1DYRK1ASCN9A
SCHEMBL5561501 0.84 PIN1 (0.49) CYP11B2PIN1DYRK1AHSD17B14GRM2
SCHEMBL2935296 0.81 GABRP (0.48) LCK
SCHEMBL2904885 0.79 GAA (0.44) LCK
SCHEMBL2908784 0.79 PLA2G2A (0.51) LCK
SCHEMBL2908530 0.79 PLA2G2A (0.50) CYP11B2LCK
SCHEMBL2908877 0.79 GAA (0.50) LCK
SCHEMBL2910558 0.79 PLA2G2A (0.54)
SCHEMBL17769119 0.79 L3MBTL1 (0.57) MMP13LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 US disclosed
WO-2004103270-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES LLC (US) 2004-12-02 WO disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 WO 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-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B CYP11B2 2296/4885MMP13 85/4885PIN1 3586/4885

“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.