SCHEMBL16895191

SCHEMBL16895191

CC(C)(C)OC(=O)N1CC(Oc2cc(NC(=O)Oc3ccccc3)cc(C(F)(F)F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.49
▸ TACR1 P25103 4/20 0.45
▸ BRAF P15056 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ RORC P51449 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CACNB4 O00305 1/20 0.39
▸ CACNA1A O00555 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNG3 O60359 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNB3 P54284 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNG7 P62955 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNB1 Q02641 1/20 0.39
▸ CACNG1 Q06432 1/20 0.39

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
SCHEMBL15541472 0.88 FAAH (0.42) TACR1BRAFKDRMAPTALDH1A1
SCHEMBL15542459 0.86 BRAF (0.42) BRAFKDRMAPTALDH1A1GAA
SCHEMBL16895197 0.86 TACR1 (0.45) TACR1BRAFKDRRORCMAPT
SCHEMBL16907425 0.83 USP30 (0.47) USP30TACR1RORCCACNB4CACNA1A
SCHEMBL20040992 0.82 BRAF (0.42) BRAFKDRMAPTALDH1A1GAA
SCHEMBL16895230 0.81 PTPN2 (0.55) TACR1MAPTSTS
SCHEMBL19696298 0.81 CSF1R (0.53) BRAFKDRMAPTALDH1A1GAA
SCHEMBL16907476 0.80 NAMPT (0.52) USP30TACR1BRAFKDRMAPT
SCHEMBL29791352 0.80 USP30 (0.52) USP30CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL29177245 0.80 USP30 (0.52) USP30CACNB4CACNA1ACACNA1GCACNG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 — — EP disclosed
EP-2864289-B1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS CB THERAPEUTICS INC (KY) 2018-04-11 — — EP disclosed
US-9840477-B2 Cyclopropanecarboxamido-substituted aromatic compounds as anti-tumor agents CB THERAPEUTICS INC. (KY) 2017-12-12 — — US disclosed
US-9840477-B2 Cyclopropanecarboxamido-substituted aromatic compounds as anti-tumor agents CB THERAPEUTICS INC. (KY) 2017-12-12 — — US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 — — US disclosed
US-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents APOLLOMICS INC. 2016-09-29 — — US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 — — US disclosed
US-9359338-B2 Cyclopropanecarboxamido-substitute aromatic compounds as anti-tumor agents CROWN BIOSCIENCE INC. (TAIWAN) (TW) 2016-06-07 — — US disclosed
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS APOLLOMICS INC. 2015-07-16 — — US disclosed
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS APOLLOMICS INC. 2015-07-16 — — 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 (2 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-20160280664-A1 Cyclopropanecarboxamido-Substituted Aromatic Compounds as Anti-tumor Agents BRAF, RAF1, ARAF USP30 2707/4885TACR1 4179/4885BRAF 1/4885
US-20150197511-A1 CYCLOPROPANECARBOXAMIDO-SUBSTITUTE AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS BRAF, ARAF, RAF1 USP30 3173/4885TACR1 3711/4885BRAF 1/4885

“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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