SCHEMBL1273269

SCHEMBL1273269

CCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.49
▸ MCL1 Q07820 9/20 0.47
▸ ABCB1 P08183 1/20 0.44
▸ HTRA1 Q92743 1/20 0.43
▸ TACR1 P25103 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ UCHL1 P09936 1/20 0.41

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
SCHEMBL1272783 1.00 HDAC8 (0.49) HDAC8MCL1ABCB1HTRA1TACR1
SCHEMBL1273334 0.85 POLB (0.55) HDAC8HTRA1TACR1MEN1POLB
SCHEMBL18573054 0.84 HDAC8 (0.54) HDAC8MCL1HTRA1TACR1POLB
SCHEMBL8303540 0.82 ABCB1 (0.46) HDAC8MCL1ABCB1ALDH1A1HPGD
SCHEMBL8300804 0.82 ABCB1 (0.46) HDAC8MCL1ABCB1ALDH1A1HPGD
SCHEMBL8303542 0.82 ABCB1 (0.46) HDAC8MCL1ABCB1ALDH1A1HPGD
SCHEMBL6945215 0.81 ABCB1 (0.51) MCL1ABCB1HTRA1POLBCYP3A4
SCHEMBL6945211 0.81 ABCB1 (0.51) MCL1ABCB1HTRA1POLBCYP3A4
SCHEMBL13164549 0.81 ABCB1 (0.52) HDAC8MCL1ABCB1PTPN1CYP3A4
SCHEMBL7279809 0.80 ABCB1 (0.51) HDAC8MCL1ABCB1HTRA1MEN1

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-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 — — 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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 HDAC8 558/4885MCL1 237/4885ABCB1 1821/4885

“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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