SCHEMBL4155548

SCHEMBL4155548

Cc1ccc(CNS(=O)(=O)c2cc(-c3cn(CC(=O)O)cc3C#N)cc(C(F)(F)F)c2)o1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
CTSA P10619 1/20 0.32
HSD11B1 P28845 1/20 0.31
ACLY P53396 2/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL3602747 0.83 IDH2 (0.33) ACLY
SCHEMBL3602959 0.81 IDH2 (0.38) L3MBTL1KMT2AALDH1A1HPGDHTT
SCHEMBL3596237 0.80 PTGDR2 (0.39) CTSAGPBAR1
SCHEMBL3594636 0.79 PTGDR2 (0.38)
SCHEMBL3593302 0.78 PTGDR2 (0.37) GPBAR1
SCHEMBL4139396 0.78 RXRA (0.35) L3MBTL1GPBAR1
SCHEMBL3596958 0.77 L3MBTL1 (0.36) L3MBTL1GPBAR1
SCHEMBL3593299 0.77 RXRA (0.34) ALDH1A1GAACTSAKDM4EGPBAR1
SCHEMBL3597052 0.76 IDH2 (0.36) SMN1; SMN2KMT2AALDH1A1HPGDTP53
SCHEMBL3597872 0.76 RXRA (0.41)

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-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 US claimed
US-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 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-20090209552-A1 Organic Compounds SLCO1B3, SLCO1B1, SLC10A6 NPC1 1356/4885SMN1; SMN2 3658/4885L3MBTL1 2382/4885

“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.