SCHEMBL20272284

SCHEMBL20272284

COC(O)c1c(NC(=O)C2CC2)sc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.48
▸ ALDH1A1 P00352 8/20 0.48
▸ HPGD P15428 4/20 0.48
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL14680529 0.75 ALDH1A1 (0.63) MAPTALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL18598325 0.71 MAPT (0.73) MAPTALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL2644504 0.64 ALDH1A1 (0.97) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL11465091 0.63 REV1 (0.77) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL21604179 0.61 MAPT (0.67) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL12460960 0.60 NPC1 (0.84) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL23413435 0.59 REV1 (0.57) MAPTALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL23449034 0.58 KMT2A (0.42) MAPTALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL3706613 0.58 MAPK10 (0.68) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL10719011 0.58 NPC1 (0.60) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 — — 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-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 MAPT 3689/4885ALDH1A1 2862/4885HPGD 2421/4885

“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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