SCHEMBL21510656

SCHEMBL21510656

COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CTSK P43235 8/20 0.45
▸ CTSS P25774 5/20 0.42
▸ CTSL P07711 2/20 0.42
▸ CTSB P07858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CAPN1 P07384 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 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
SCHEMBL18915424 0.87 CYP1A2 (0.45) HTTCYP1A2CYP2C9CYP2C19CTSK
SCHEMBL20095048 0.87 CTSK (0.46) HTTCYP1A2CYP2C9CYP2C19CTSK
SCHEMBL18915447 0.87 CYP1A2 (0.43) HTTCYP1A2CYP2C9CYP2C19CTSK
SCHEMBL20799085 0.87 CYP1A2 (0.43) HTTCYP1A2CYP2C9CYP2C19CTSK
SCHEMBL2225458 0.87 CYP1A2 (0.49) HTTCYP1A2CYP2C9CYP2C19CTSK
SCHEMBL2390166 0.87 CYP1A2 (0.49) HTTCYP1A2CYP2C9CYP2C19CTSK
SCHEMBL1763873 0.87 CYP1A2 (0.49) HTTCYP1A2CYP2C9CYP2C19CTSK
SCHEMBL1317487 0.87 CYP1A2 (0.49) HTTCYP1A2CYP2C9CYP2C19CTSK
SCHEMBL15418649 0.87 CYP1A2 (0.49) HTTCYP1A2CYP2C9CYP2C19CTSK
SCHEMBL19422705 0.86 CYP1A2 (0.63) HTTCYP1A2CYP2C9CYP2C19CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023110138-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-22 — — WO disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 — — WO disclosed
WO-2023275333-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 — — WO disclosed
US-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2021-05-20 — — US disclosed
WO-2019201432-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 — — WO disclosed
WO-2019202052-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII ZEDIRA GMBH (DE) 2019-10-24 — — WO 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-20210147478-A1 INHIBITORS OF BLOOD COAGULATION FACTOR XIII TFPI, F11, F13B HTT 4350/4885CYP1A2 215/4885CYP2C9 177/4885

“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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