SCHEMBL19924427

SCHEMBL19924427

COc1ccnc(C(=S)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2ccc(Cl)cc2)C2CCCC2)c1O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ TP53 P04637 3/20 0.32
▸ MDM2 Q00987 2/20 0.32
▸ PDGFRA P16234 4/20 0.31
▸ KDR P35968 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ KIT P10721 3/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL17905093 0.92 RAB9A (0.35) HTTRAB9ANR1H4TP53MDM2
SCHEMBL19910872 0.92 NR3C1 (0.32) RAB9ATP53PDGFRAKDRALDH1A1
SCHEMBL19910907 0.89 HTT (0.31) HTTRAB9ANR1H4TP53MDM2
SCHEMBL25022987 0.85 ALDH1A1 (0.35) PDGFRAALDH1A1SMN1; SMN2LMNAKIT
SCHEMBL21339079 0.85 ALDH1A1 (0.35) PDGFRAALDH1A1SMN1; SMN2LMNAKIT
SCHEMBL17904775 0.85 NR3C1 (0.34) RAB9ATP53PDGFRAKDRALDH1A1
SCHEMBL19910852 0.84 HTT (0.35) HTTRAB9ATP53MDM2PDGFRA
SCHEMBL17905151 0.84 SMN1; SMN2 (0.33) RAB9APDGFRAKDRALDH1A1SMN1; SMN2
SCHEMBL17904858 0.84 ALDH1A1 (0.36) HTTRAB9AKDRALDH1A1SMN1; SMN2
SCHEMBL17896206 0.84 HTT (0.37) HTTTP53KDRALDH1A1LMNA

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
US-10172358-B2 Thiopicolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-08 — — US disclosed
WO-2018044987-A1 THIOPICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2018-03-08 — — WO disclosed
WO-2018044991-A1 THIOPICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2018-03-08 — — WO disclosed
US-20180055051-A1 THIOPICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2018-03-01 — — 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 (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-10172358-B2 Thiopicolinamide compounds with fungicidal activity TST, TPMT, CYP51A1 HTT 2465/4885RAB9A 2274/4885NR1H4 2506/4885
US-20180055051-A1 THIOPICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY TST, TPMT, CYP51A1 HTT 2465/4885RAB9A 2274/4885NR1H4 2506/4885

“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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