SCHEMBL17359124

SCHEMBL17359124

Cc1cc(C(F)(F)F)cc(S(=O)(=O)NO)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
MMP1 P03956 5/20 0.58
MMP2 P08253 5/20 0.58
MMP9 P14780 5/20 0.58
MMP8 P22894 5/20 0.58
MMP13 P45452 5/20 0.58
GAA P10253 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.40
FFAR1 O14842 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
CCNA1 P78396 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CYP2D6 P10635 1/20 0.40
PSEN1 P49768 1/20 0.40

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
SCHEMBL15880574 0.87 CA1 (0.68) CA1CA2MMP1MMP2MMP9
SCHEMBL25737834 0.86 FFAR1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL26430427 0.84 FFAR1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL2758458 0.80 CES2 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL26430459 0.80 PSEN1 (0.39) CA1CA2MMP1MMP2MMP9
SCHEMBL13188852 0.80 ALDH1A1 (0.50) CA1CA2MMP1MMP2MMP9
SCHEMBL25737831 0.79 CYP2D6 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL10069243 0.78 NOTUM (0.41) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL13404376 0.78 CA1 (0.41) CA1CA2GAAFFAR1CDK1
SCHEMBL8051192 0.78 NOTUM (0.59) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. 2015-12-24 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-20150366977-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS TNNT2, TNNI3, NQO1 CA1 4828/4885CA2 4041/4885MMP1 3468/4885

“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.