SCHEMBL19910872

SCHEMBL19910872

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

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PDGFRA P16234 4/20 0.31
▸ KIT P10721 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KDR P35968 1/20 0.30
▸ ADAMTS5 Q9UNA0 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ STS P08842 1/20 0.30

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
SCHEMBL19924427 0.92 HTT (0.33) SMN1; SMN2ALDH1A1L3MBTL1PDGFRAKIT
SCHEMBL17904775 0.92 NR3C1 (0.34) NR3C1SMN1; SMN2ALDH1A1L3MBTL1PDGFRA
SCHEMBL17905666 0.89 XBP1 (0.34) NR3C1SMN1; SMN2PDGFRANPC1RAB9A
SCHEMBL25022987 0.86 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1PDGFRAKITHPGD
SCHEMBL21339079 0.86 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1PDGFRAKITHPGD
SCHEMBL17905151 0.85 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1PDGFRAKITNPC1
SCHEMBL17905093 0.85 RAB9A (0.35) SMN1; SMN2NPC1RAB9AHPGDLMNA
SCHEMBL17904858 0.84 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL17905086 0.84 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL17905149 0.83 XBP1 (0.35) NR3C1SMN1; SMN2ALDH1A1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10231452-B2 Thiopicolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-03-19 — — US disclosed
US-20180055052-A1 THIOPICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2018-03-01 — — US disclosed
US-20180055052-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-20180055052-A1 THIOPICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY TST, TPMT, CYP51A1 NR3C1 4103/4885SMN1; SMN2 3840/4885ALDH1A1 1190/4885
US-10231452-B2 Thiopicolinamide compounds with fungicidal activity TST, TPMT, CYP51A1 NR3C1 4103/4885SMN1; SMN2 3840/4885ALDH1A1 1190/4885

“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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