SCHEMBL17905112

SCHEMBL17905112

C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H](C)[C@H](OCC1CC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ CTSK P43235 3/20 0.41
▸ CTSS P25774 2/20 0.41
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ EPHX1 P07099 1/20 0.37
▸ CACNA1B Q00975 5/20 0.35
▸ GAA P10253 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 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
SCHEMBL17896228 0.99 KMT2A (0.43) KMT2ACTSKCTSSHDAC4HDAC1
SCHEMBL17904773 0.99 KMT2A (0.43) KMT2ACTSKCTSSHDAC4HDAC1
SCHEMBL17905502 0.94 KMT2A (0.45) KMT2ACTSKCTSSCACNA1BGAA
SCHEMBL17905110 0.86 KMT2A (0.39) KMT2ACTSKCTSSHDAC4HDAC1
SCHEMBL17905125 0.85 KMT2A (0.48) KMT2ACTSKCTSSEPHX1CACNA1B
SCHEMBL17905501 0.81 KMT2A (0.46) KMT2ACTSKCTSSGAACA12
SCHEMBL17904803 0.81 KMT2A (0.46) KMT2ACTSKCTSSGAACA12
SCHEMBL17905413 0.81 KMT2A (0.45) KMT2ACTSKCTSSGAACA12
SCHEMBL17905158 0.80 KMT2A (0.44) KMT2ACTSKCTSSCA12CA14
SCHEMBL23649916 0.79 CTSS (0.44) KMT2ACTSKCTSSHDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 — — US disclosed
WO-2016109288-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — 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-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 KMT2A 3102/4885CTSK 2808/4885CTSS 1597/4885

“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.

Send feedback