SCHEMBL17901437

SCHEMBL17901437

CCCOC[C@@H](Cc1ccccc1)[C@H](C)OC(=O)[C@@H](C)NC(=O)c1nccc(OC)c1O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSA P10619 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL20627013 1.00 TDP1 (0.36) TDP1MAPTATMMEN1KMT2A
SCHEMBL17901543 1.00 TDP1 (0.36) TDP1MAPTATMMEN1KMT2A
SCHEMBL17901517 0.92 GAA (0.37) TDP1MAPTATMMEN1KMT2A
SCHEMBL17901448 0.92 CASR (0.36) TDP1MAPTGAARAB9A
SCHEMBL17901446 0.92 TDP1 (0.35) TDP1MAPTATMMEN1KMT2A
SCHEMBL17901420 0.92 MAPT (0.37) TDP1MAPTMEN1KMT2AGAA
SCHEMBL17901455 0.91 ATM (0.40) TDP1MAPTATMPOLBALDH1A1
SCHEMBL17901476 0.91 MCHR1 (0.35) ATMCTSA
SCHEMBL17901469 0.90 TDP1 (0.40) TDP1MAPTATMMEN1KMT2A
SCHEMBL17901452 0.90 TAS1R3 (0.39) TDP1MAPTATMMEN1KMT2A

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-3240408-B1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-04-08 EP disclosed
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2019-11-28 US disclosed
US-10252989-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-04-09 US disclosed
US-10173971-B2 Picolinamides with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-08 US disclosed
US-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-02-08 US disclosed
WO-2016109300-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 WO disclosed
WO-2016109301-A1 PICOLINAMIDES 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 (4 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-20180037541-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 TDP1 2339/4885MAPT 2315/4885ATM 4794/4885
US-20190359557-A1 PICOLINAMIDES WITH FUNGICIDAL ACTIVITY CYP51A1, CYP1A2, FKBP14 TDP1 2339/4885MAPT 2315/4885ATM 4794/4885
US-10173971-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 TDP1 2339/4885MAPT 2315/4885ATM 4794/4885
US-10252989-B2 Picolinamides with fungicidal activity CYP51A1, CYP1A2, FKBP14 TDP1 2339/4885MAPT 2315/4885ATM 4794/4885

“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.