SCHEMBL15904233

SCHEMBL15904233

[C]#Cc1ccc(C(=O)NC(CCSC)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.64
CA1 P00915 3/20 0.64
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
USP2 O75604 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
FOLH1 Q04609 1/20 0.51
MEN1 O00255 1/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9830237 0.83 CA2 (0.70) CA2CA1CA12CA9ALDH1A1
SCHEMBL9830233 0.83 CA2 (0.70) CA2CA1CA12CA9ALDH1A1
SCHEMBL1158031 0.83 CA2 (0.69) CA2CA1CA12CA9ALDH1A1
SCHEMBL9461939 0.83 CA2 (0.69) CA2CA1CA12CA9ALDH1A1
SCHEMBL1158033 0.83 CA2 (0.69) CA2CA1CA12CA9ALDH1A1
SCHEMBL11228098 0.82 CA2 (0.68) CA2CA1CA12CA9ALDH1A1
SCHEMBL15905507 0.82 CA2 (0.61) CA2CA1CA12CA9FOLH1
SCHEMBL9432949 0.82 CA2 (0.72) CA2CA1CA12CA9ALDH1A1
SCHEMBL9830498 0.82 CA2 (0.72) CA2CA1CA12CA9ALDH1A1
Lithium SCHEMBL6646645 0.82 CA2 (0.67) CA2CA1CA12CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CA2 209/4885CA1 356/4885CA12 386/4885

“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.