SCHEMBL11964530

SCHEMBL11964530

CC[C@H](C)NC(=O)[C@@H](C)CC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.53
▸ CTSK P43235 3/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ REN P00797 2/20 0.42
▸ CTSD P07339 1/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ METAP2 P50579 2/20 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
SCHEMBL10078888 0.84 EPHX1 (0.50) EPHX1CTSKLTA4HRENCTSD
SCHEMBL13889049 0.79 REN (0.50) EPHX1CTSKLTA4HRENCTSD
SCHEMBL14321938 0.79 LTA4H (0.43) CTSKLTA4HRENCTSDCTSL
SCHEMBL26169592 0.79 LTA4H (0.45) CTSKLTA4HRENALDH1A1KMT2A
SCHEMBL26168283 0.76 CNR1 (0.43) CTSKLTA4HRENCTSDALDH1A1
SCHEMBL16054267 0.75 ALDH1A1 (0.47) CTSKLTA4HRENCTSDALDH1A1
SCHEMBL27272775 0.74 LTA4H (0.39) CTSKLTA4HRENCPB2CTSL
SCHEMBL8224748 0.73 MMP1 (0.50) EPHX1ALDH1A1KMT2AMEN1GAA
SCHEMBL9966033 0.73 MMP1 (0.50) EPHX1ALDH1A1KMT2AMEN1GAA
SCHEMBL416758 0.73 CTSK (0.40) CTSKLTA4HALDH1A1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648094-B2 IAP BIR domain binding compounds PHARMASCIENCE, INC. (CA) 2014-02-11 — — US disclosed
US-20120195915-A1 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-08-02 — — 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-20120195915-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 EPHX1 4075/4885CTSK 2955/4885LTA4H 3525/4885

“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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