SCHEMBL20682985

SCHEMBL20682985

CC(C)C(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)OCC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.42
▸ CTSS P25774 3/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CTSL P07711 2/20 0.36
▸ CTSB P07858 1/20 0.36
▸ AAK1 Q2M2I8 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CACNA1B Q00975 3/20 0.34
▸ EPHX1 P07099 1/20 0.33

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
SCHEMBL17901092 1.00 CTSK (0.42) CTSKCTSSKMT2ACA1CA2
SCHEMBL20682983 0.95 KMT2A (0.46) CTSKCTSSKMT2ACA1CA2
SCHEMBL17901296 0.95 KMT2A (0.46) CTSKCTSSKMT2ACA1CA2
SCHEMBL17904803 0.86 KMT2A (0.46) CTSKCTSSKMT2ACA1CA2
SCHEMBL20682989 0.85 KMT2A (0.45) CTSKCTSSKMT2ACA1CA2
SCHEMBL17901093 0.85 KMT2A (0.45) CTSKCTSSKMT2ACA1CA2
SCHEMBL17905125 0.84 KMT2A (0.48) CTSKCTSSKMT2ACA1CA2
SCHEMBL17905501 0.81 KMT2A (0.46) CTSKCTSSKMT2ACA1CA2
SCHEMBL17904993 0.81 CTSK (0.43) CTSKCTSSKMT2ACTSLCTSB
SCHEMBL20682888 0.80 CA1 (0.42) CTSKCTSSKMT2ACA1CA2

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-10188109-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-29 — — 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-10188109-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 CTSK 2808/4885CTSS 1597/4885KMT2A 3102/4885

“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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