SCHEMBL18082610

SCHEMBL18082610

COC(=O)C(NC(=O)OCc1ccccc1)P(C)(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KYNU Q16719 1/20 0.60
▸ ELANE P08246 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ TRPM8 Q7Z2W7 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CTRB1 P17538 2/20 0.50
▸ PRTN3 P24158 2/20 0.50
▸ ATM Q13315 2/20 0.50
▸ KLK1 P06870 1/20 0.48
▸ CTSK P43235 3/20 0.48
▸ TACR1 P25103 1/20 0.48
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CTSL P07711 2/20 0.47
▸ CTSS P25774 2/20 0.47

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
SCHEMBL12903901 0.89 KYNU (0.60) KYNUELANEALDH1A1TRPM8ALOX15
SCHEMBL269404 0.87 KYNU (0.62) KYNUELANEALDH1A1TRPM8ALOX15
SCHEMBL29678939 0.87 KYNU (0.62) KYNUELANEALDH1A1TRPM8ALOX15
SCHEMBL187849 0.87 KYNU (0.62) KYNUELANEALDH1A1TRPM8ALOX15
SCHEMBL1068881 0.86 KYNU (0.60) KYNUELANEALDH1A1TRPM8ALOX15
SCHEMBL21627154 0.85 KYNU (0.59) KYNUELANEALDH1A1TRPM8ALOX15
SCHEMBL19420848 0.84 KYNU (0.58) KYNUELANEALDH1A1TRPM8ALOX15
SCHEMBL13435790 0.83 KYNU (0.57) KYNUELANEALDH1A1TRPM8ALOX15
SCHEMBL535707 0.83 KYNU (0.57) KYNUELANEALDH1A1TRPM8ALOX15
SCHEMBL19410220 0.83 KYNU (0.57) KYNUELANEALDH1A1TRPM8ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771378-B2 Fused morpholinopyrimidines and methods of use thereof DENALI THERAPEUTICS, INC. (US) 2017-09-26 — — US disclosed
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 — — US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 — — 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-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP KYNU 141/4885ELANE 107/4885ALDH1A1 1694/4885

“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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