SCHEMBL19910907

SCHEMBL19910907

COc1ccnc(C(=S)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2ccc(Cl)cc2)C2CCCC2)c1OC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.30
▸ TP53 P04637 2/20 0.30
▸ MDM2 Q00987 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ ATM Q13315 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
SCHEMBL17905193 0.93 MAPT (0.35) HTTRAB9ANR1H4TP53MDM2
SCHEMBL19924427 0.89 HTT (0.33) HTTRAB9AKITPDGFRANR1H4
SCHEMBL25021283 0.86 ALDH1A1 (0.33) KITPDGFRAMAPK1
SCHEMBL21339315 0.86 ALDH1A1 (0.33) KITPDGFRAMAPK1
SCHEMBL17905149 0.86 XBP1 (0.35) RAB9ATP53MAPT
SCHEMBL19910879 0.85 HTT (0.33) HTTRAB9APDGFRAMAPTMAPK1
SCHEMBL17905201 0.85 MAPT (0.33) RAB9APDGFRAMAPT
SCHEMBL17896230 0.85 HTT (0.35) HTTMAPK1
SCHEMBL17905144 0.85 MAPT (0.33) HTTRAB9ATP53MDM2MAPT
SCHEMBL17905159 0.85 HTT (0.35) HTTMAPK1

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-10231452-B2 Thiopicolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-03-19 — — US disclosed
US-10172358-B2 Thiopicolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-01-08 — — US disclosed
US-20180055052-A1 THIOPICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2018-03-01 — — US disclosed
US-20180055051-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 (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-20180055052-A1 THIOPICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY TST, TPMT, CYP51A1 HTT 2375/4885RAB9A 2323/4885KIT 4761/4885
US-10172358-B2 Thiopicolinamide compounds with fungicidal activity TST, TPMT, CYP51A1 HTT 2465/4885RAB9A 2274/4885KIT 4825/4885
US-10231452-B2 Thiopicolinamide compounds with fungicidal activity TST, TPMT, CYP51A1 HTT 2375/4885RAB9A 2323/4885KIT 4761/4885
US-20180055051-A1 THIOPICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY TST, TPMT, CYP51A1 HTT 2465/4885RAB9A 2274/4885KIT 4825/4885

“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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