SCHEMBL17896181

SCHEMBL17896181

CC(C)(C)OC(=O)N1C[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.51
KLK7 P49862 1/20 0.48
CTSL P07711 1/20 0.46
PARP1 P09874 1/20 0.46
HPGD P15428 1/20 0.46
ABCB1 P08183 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
HTR2C P28335 1/20 0.44
AGTR2 P50052 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8332542 1.00 FKBP1A (0.51) FKBP1AKLK7CTSLPARP1HPGD
SCHEMBL17893034 1.00 FKBP1A (0.51) FKBP1AKLK7CTSLPARP1HPGD
SCHEMBL17153137 0.89 PARP1 (0.53) FKBP1AKLK7CTSLPARP1PDK1
SCHEMBL1448453 0.89 POLB (0.53) FKBP1AKLK7CTSLPARP1HPGD
SCHEMBL1783541 0.89 POLB (0.53) FKBP1AKLK7CTSLPARP1HPGD
SCHEMBL5499620 0.89 KLK7 (0.47) FKBP1AKLK7CTSLPARP1HPGD
SCHEMBL13967419 0.89 FKBP1A (0.47) FKBP1AKLK7CTSLPARP1HPGD
SCHEMBL21285649 0.89 FKBP1A (0.47) FKBP1AKLK7CTSLPARP1HPGD
SCHEMBL21441908 0.89 FKBP1A (0.47) FKBP1AKLK7CTSLPARP1HPGD
SCHEMBL1449334 0.89 POLB (0.53) FKBP1AKLK7CTSLPARP1HPGD

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 7 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
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
EP-3240412-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
EP-3240413-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
WO-2016109289-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109288-A1 USE OF 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 (2 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 FKBP1A 7/4885KLK7 3557/4885CTSL 619/4885
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 FKBP1A 7/4885KLK7 3243/4885CTSL 563/4885

“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.