SCHEMBL15904644

SCHEMBL15904644

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
CA2 P00918 8/20 0.58
CA1 P00915 5/20 0.58
PPARG P37231 2/20 0.54
PPARA Q07869 1/20 0.54
DGAT1 O75907 3/20 0.44
SLC1A2 P43004 1/20 0.44

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
SCHEMBL15904110 0.89 CA2 (0.59) NPSR1CA2CA1PPARGPPARA
SCHEMBL15904568 0.85 CA2 (0.62) NPSR1CA2CA1PPARGPPARA
SCHEMBL15904203 0.84 CA2 (0.56) NPSR1CA2CA1DGAT1
SCHEMBL17313731 0.82 MEN1 (0.40) NPSR1CA2SLC1A2
SCHEMBL16283451 0.81 CA2 (0.61) NPSR1CA2CA1PPARGPPARA
SCHEMBL4682406 0.80 CA2 (0.65) NPSR1CA2CA1PPARGPPARA
SCHEMBL4682399 0.80 CA2 (0.65) NPSR1CA2CA1PPARGPPARA
SCHEMBL17313750 0.80 MEN1 (0.45)
SCHEMBL9462009 0.80 SLC1A2 (0.66) NPSR1CA2CA1PPARGPPARA
SCHEMBL1168553 0.80 SLC1A2 (0.66) NPSR1CA2CA1PPARGPPARA

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 NPSR1 2998/4885CA2 209/4885CA1 356/4885

“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.