SCHEMBL17313845

SCHEMBL17313845

COC(=O)C(CO)N(CC(C)C)C(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NNC(=O)OC(C)(C)C)c4cnccc4n3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.38
▸ ACACA Q13085 3/20 0.38
▸ TACR3 P29371 3/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 3/20 0.34
▸ LATS1 O95835 2/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL15919460 0.95 ACACB (0.39) ACACBACACAMEN1KMT2AGAA
SCHEMBL15919462 0.93 ACACB (0.40) ACACBACACATACR3MEN1KMT2A
SCHEMBL15919463 0.89 ACACB (0.41) ACACBACACAMEN1KMT2AGAA
SCHEMBL15919295 0.82 MAPT (0.37) TACR3MEN1KMT2AGAALATS1
SCHEMBL15919549 0.80 ACACB (0.42) ACACBACACATACR3MEN1KMT2A
SCHEMBL15919535 0.80 ACACB (0.40) ACACBACACAMEN1KMT2AGAA
SCHEMBL17327512 0.78 LATS1 (0.36) ACACBTACR3MEN1KMT2ALATS1
SCHEMBL15919481 0.78 TACR3 (0.40) ACACBACACATACR3MEN1KMT2A
SCHEMBL17323691 0.78 ACACB (0.35) ACACBACACATACR3MEN1KMT2A
SCHEMBL15919465 0.78 LATS1 (0.38) TACR3MEN1KMT2AGAALATS1

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 6 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-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
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 — — 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ACACB 1141/4885ACACA 1262/4885TACR3 2024/4885

“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.

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