SCHEMBL15919729

SCHEMBL15919729

CN(CC(NC(=O)OC(C)(C)C)C(=O)O)C(=O)c1ccc(C#Cc2ccc(-c3cc(C(=O)NNC(=O)OC(C)(C)C)c4cnccc4n3)cc2)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.35
▸ ACACA Q13085 4/20 0.35
▸ GAA P10253 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TACR3 P29371 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ POLB P06746 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ ALOX12 P18054 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ KLF5 Q13887 1/20 0.31
▸ ABL1 P00519 1/20 0.31

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
SCHEMBL17323691 0.95 ACACB (0.35) ACACBACACAGAATP53TACR3
SCHEMBL15919475 0.89 EGLN2 (0.38) ACACBACACAGAAMEN1POLB
SCHEMBL15919476 0.85 ACACB (0.37) ACACBACACAGAATACR3MEN1
SCHEMBL17327500 0.82 TACR3 (0.34) ACACBGAATP53TACR3MEN1
SCHEMBL15919479 0.82 RAB9A (0.41) ACACBACACAGAATP53MEN1
SCHEMBL15919298 0.81 TACR3 (0.36) ACACBGAATP53TACR3MAPT
Hydrochloric Acid SCHEMBL17313841 0.81 TACR3 (0.35) ACACBGAATP53TACR3MAPT
SCHEMBL15919548 0.81 ACACB (0.43) ACACBACACAGAAMEN1POLB
SCHEMBL15919535 0.81 ACACB (0.40) ACACBACACAGAATP53MEN1
SCHEMBL15919460 0.79 ACACB (0.39) ACACBACACAGAAMEN1KMT2A

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 1262/4885GAA 6/4885

“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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