SCHEMBL21584067

SCHEMBL21584067

CC(C)(C)N1CCCSC1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ INMT O95050 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTT P42858 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
SCHEMBL10129310 0.86 INMT (0.36) INMT
SCHEMBL13684180 0.78 INMT (0.54) INMT
SCHEMBL12020975 0.70 — —
SCHEMBL18116984 0.70 — —
SCHEMBL25136544 0.69 POLB (0.33) —
SCHEMBL17035447 0.69 POLB (0.33) —
SCHEMBL1698475 0.67 INMT (0.40) INMTALDH1A1CYP2C9CYP1A2CYP2C19
SCHEMBL13684175 0.66 PDE4B (0.33) —
SCHEMBL13684184 0.64 INMT (0.52) INMT
SCHEMBL12020974 0.64 — —

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
EP-3805231-A1 INHIBITOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2021-04-14 — — EP disclosed
US-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS PI INDUSTRIES LTD. (IN) 2020-09-10 — — US disclosed
WO-2019228341-A1 INHIBITOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏豪森药业集团有限公司 (CN) 2019-12-05 — — 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 (1 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-20200281202-A1 NOVEL FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP51A1 INMT 928/4885ALDH1A1 156/4885HIF1A 4262/4885

“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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