SCHEMBL8104883

SCHEMBL8104883

COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 5/20 0.48
▸ TSHR P16473 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MDM2 Q00987 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
SCHEMBL12052841 1.00 PTPN1 (0.48) PTPN1TSHRCTSLCTSKALDH1A1
SCHEMBL12052840 0.93 PTPN1 (0.48) PTPN1CTSLCTSKALDH1A1MDM2
SCHEMBL8100860 0.93 PTPN1 (0.48) PTPN1CTSLCTSKALDH1A1MDM2
SCHEMBL12605223 0.89 ALDH1A1 (0.55) PTPN1ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL12062867 0.88 TSHR (0.54) PTPN1TSHRALDH1A1THRBCYP2C9
SCHEMBL13437618 0.88 TSHR (0.54) PTPN1TSHRALDH1A1THRBCYP2C9
SCHEMBL14326321 0.88 KLK5 (0.43) PTPN1TSHRALDH1A1THRBCYP2C9
SCHEMBL14326319 0.87 KLK5 (0.42) PTPN1TSHRALDH1A1THRBCYP2C9
SCHEMBL14326320 0.87 KLK5 (0.42) PTPN1TSHRALDH1A1THRBCYP2C9
SCHEMBL17444826 0.85 PTPN1 (0.48) PTPN1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080753-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-03-20 — — US disclosed
US-8080545-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 — — US disclosed
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 — — US disclosed
US-7691852-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-04-06 — — US disclosed
US-20070293465-A1 Compounds for enzyme inhibition PROTEOLIX, INC. (US) 2007-12-20 — — 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 (3 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-20140080753-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 PTPN1 1676/4885TSHR 4716/4885CTSL 724/4885
US-20070293465-A1 Compounds for enzyme inhibition PSME1, PSMB1, PSME3 PTPN1 1676/4885TSHR 4716/4885CTSL 724/4885
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 PTPN1 1676/4885TSHR 4716/4885CTSL 724/4885

“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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