SCHEMBL15919289

SCHEMBL15919289

CC(C)(C)OC(=O)NNC(=O)c1cc(-c2ccc(C#Cc3ccc(C(=O)N4CCCCC4C(=O)O)cc3)cc2)nc2ccncc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.41
ACACA Q13085 4/20 0.41
ALDH1A1 P00352 1/20 0.36
KCNQ1 P51787 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP2C9 P11712 3/20 0.35
TRPV1 Q8NER1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ROCK2 O75116 1/20 0.34
PREP P48147 1/20 0.34

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
SCHEMBL15919284 0.94 ACACB (0.41) ACACBACACAKCNQ1CYP2C9ROCK2
SCHEMBL15919379 0.94 ACACB (0.36) ACACBACACAALDH1A1L3MBTL1CYP2C9
SCHEMBL15919529 0.93 ACACB (0.42) ACACBACACACYP2C9TRPV1ROCK2
SCHEMBL15919287 0.93 ACACB (0.37) ACACBACACAKCNQ1TRPV1
SCHEMBL17323683 0.93 ACACB (0.37) ACACBACACAKCNQ1CYP2C9TRPV1
SCHEMBL15919486 0.92 KMT2A (0.36) ACACBACACAALDH1A1KCNQ1ROCK2
SCHEMBL17323723 0.90 ACACB (0.40) ACACBACACAALDH1A1TRPV1
SCHEMBL15919377 0.89 ACACB (0.37) ACACBACACAKCNQ1CYP2C9ROCK2
SCHEMBL15919492 0.88 ROCK2 (0.38) ACACBACACAALDH1A1KCNQ1ROCK2
SCHEMBL15919290 0.88 ACACB (0.38) ACACBACACAKCNQ1TRPV1ROCK2

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 5 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-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
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US 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 ACACB 1141/4885ACACA 1262/4885ALDH1A1 289/4885

“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.