SCHEMBL23670975

SCHEMBL23670975

O=C(O)c1ccc2c(c1)NCC1(CCOc3cc(Cl)ccc31)CO2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.41
MCL1 Q07820 3/20 0.41
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
S1PR5 Q9H228 3/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL19284791 1.00 MAP3K14 (0.41) MAP3K14MCL1RARARARBRARG
SCHEMBL27152338 0.88 RARB (0.41) MAP3K14RARARARBRARGS1PR5
SCHEMBL22894879 0.86 MAP3K14 (0.38) MAP3K14S1PR5S1PR1S1PR3
SCHEMBL23670924 0.86 MAP3K14 (0.38) MAP3K14S1PR5S1PR1S1PR3
SCHEMBL19285255 0.85 MCL1 (0.56) MCL1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17542341 0.84 MCL1 (0.58) MCL1
SCHEMBL29436626 0.84 MCL1 (0.58) MCL1
SCHEMBL23670423 0.84 MCL1 (0.40) MCL1RARARARBRARGS1PR5
SCHEMBL17542338 0.84 MCL1 (0.58) MCL1
SCHEMBL29552766 0.84 MCL1 (0.40) MCL1RARARARBRARGS1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2021-07-29 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-20210230189-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 MAP3K14 1577/4885MCL1 1/4885RARA 4077/4885

“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.