SCHEMBL110219

SCHEMBL110219

COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c3ccc(OS(C)(=O)=O)cc3n(Cc3ccc(C)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.39
PPARG P37231 7/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RORC P51449 2/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARA Q07869 1/20 0.35
SDHB P21912 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
SCHEMBL13284186 0.95 PPARG (0.44) P2RX3PPARGCA12CA1CA2
SCHEMBL143937 0.90 PPARG (0.44) P2RX3PPARGCA12CA1CA2
SCHEMBL110216 0.81 JAK2 (0.39) P2RX3SMN1; SMN2NPSR1
SCHEMBL139706 0.78 JAK2 (0.38) PPARGMAPTHPGDSMN1; SMN2GAA
SCHEMBL144379 0.70 JAK2 (0.51) CA12CA1CA2CA9MAPT
SCHEMBL109314 0.70 CACNA1H (0.42) MAPTGAANPSR1L3MBTL1
SCHEMBL143205 0.69 PLA2G2A (0.49) MAPTTHRBHPGDGAA
SCHEMBL141523 0.69 PLA2G2A (0.47) P2RX3MAPTTHRB
SCHEMBL110330 0.67 L3MBTL1 (0.46) MAPTGAANPSR1L3MBTL1
SCHEMBL110879 0.66 PLA2G2A (0.53) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 P2RX3 3501/4885PPARG 1361/4885CA12 3204/4885

“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.