SCHEMBL21339079

SCHEMBL21339079

COc1ccnc(C(=S)N[C@@H](C)C(=O)O[C@@H](C)[C@@H](C)C2CCCC2)c1O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTPN7 P35236 2/20 0.34
▸ DUSP3 P51452 2/20 0.34
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ STS P08842 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ KIT P10721 3/20 0.32
▸ PDGFRA P16234 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ MET P08581 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL25022987 1.00 ALDH1A1 (0.35) ALDH1A1NPSR1PTPN7DUSP3HPGD
SCHEMBL21338917 0.91 ALDH1A1 (0.36) ALDH1A1NPSR1HPGDLMNASMN1; SMN2
SCHEMBL21338918 0.91 ALDH1A1 (0.36) ALDH1A1NPSR1HPGDLMNASMN1; SMN2
SCHEMBL21339276 0.91 ALDH1A1 (0.36) ALDH1A1NPSR1HPGDLMNASMN1; SMN2
SCHEMBL20352650 0.89 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAKDM4EMET
SCHEMBL20352628 0.89 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAKDM4EMET
SCHEMBL29443149 0.89 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAKDM4EMET
SCHEMBL21339315 0.86 ALDH1A1 (0.33) ALDH1A1NPSR1SMN1; SMN2CASP6KIT
SCHEMBL25021283 0.86 ALDH1A1 (0.33) ALDH1A1NPSR1SMN1; SMN2CASP6KIT
SCHEMBL19910872 0.86 NR3C1 (0.32) ALDH1A1NPSR1HPGDLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049481-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2023-02-16 — — US disclosed
US-11155520-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC 2021-10-26 — — US disclosed
US-20200399222-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-12-24 — — US disclosed
WO-2019173665-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2019-09-12 — — WO disclosed
US-20190276404-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2019-09-12 — — 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 (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-20200399222-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 ALDH1A1 1130/4885NPSR1 1327/4885PTPN7 80/4885
US-20190276404-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 ALDH1A1 1130/4885NPSR1 1327/4885PTPN7 80/4885
US-20230049481-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 ALDH1A1 1130/4885NPSR1 1327/4885PTPN7 80/4885
US-11155520-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 ALDH1A1 1130/4885NPSR1 1327/4885PTPN7 80/4885

“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