SCHEMBL3048923

SCHEMBL3048923

COC(=O)c1ccc2s[c]nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
FGFR1 P11362 1/20 0.45
HTT P42858 3/20 0.44
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 7/20 0.43
ATM Q13315 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 3/20 0.43

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
SCHEMBL3053748 0.89 PIK3CA (0.51) CA12CA1CA2CA7CA9
SCHEMBL11782530 0.83 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL6364831 0.81 NPC1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1538274 0.74 NAMPT (0.51) CA12CA1CA2CA7CA9
SCHEMBL4277300 0.74 THRB (0.68) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL29852002 0.74 NAMPT (0.51) CA12CA1CA2CA7CA9
SCHEMBL31258323 0.74 THRB (0.68) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL10821036 0.73 KDM4E (0.54) HTTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL31398710 0.73 HDAC1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL2970236 0.73 NPC1 (0.71) PIK3CAPIK3CBPIK3CGPI4KBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
WO-2008109104-A1 BIVALENT INHIBITORS OF AKT PROTEIN KINASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-12 WO disclosed
US-4609438-A ELECTROLYTIC, FROM A 2-MERCAPTOBENZOTHIAZOLE AND A BENZENESULFINATE OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1986-09-02 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-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS CTSA, SOST, CTSB CA12 2946/4885CA1 2003/4885CA2 1461/4885

“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.