SCHEMBL1818375

SCHEMBL1818375

Cc1cc(NC(=O)C(F)(F)F)cnc1S(=O)(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TNIK Q9UKE5 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
ABL1 P00519 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL1819205 0.85 CYP1A2 (0.41) RORCPOLBL3MBTL1CA12CA1
SCHEMBL1818471 0.83 AR (0.41) RORCL3MBTL1CA12CA1CA2
SCHEMBL1819956 0.82 ALDH1A1 (0.45) RORCPOLBCA12CA1CA2
SCHEMBL1816743 0.80 ABCC9 (0.40) CA12CA1CA2CA9CYP2C19
SCHEMBL10073227 0.71 L3MBTL1 (0.53) L3MBTL1CA12CA1CA2CA9
SCHEMBL22632899 0.71 L3MBTL1 (0.49) POLBL3MBTL1CA12CA1CA2
SCHEMBL10067644 0.69 CA1 (0.70) POLBCA12CA1CA2CA9
SCHEMBL5167758 0.69 DHODH (0.47) L3MBTL1SMN1; SMN2TNIKCYP1A2CYP2C9
SCHEMBL18247773 0.68 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL38661078 0.68 KCNQ3 (0.52) POLBL3MBTL1CA12CA1CA2

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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD RORC 1616/4885POLB 721/4885L3MBTL1 270/4885

“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.