SCHEMBL6685568

SCHEMBL6685568

c1cc(CSSCc2cc[nH]n2)n[nH]1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7079017 0.87
SCHEMBL7218532 0.81
SCHEMBL6685223 0.76
SCHEMBL4588217 0.76
Hydrochloric Acid SCHEMBL17361360 0.74
SCHEMBL6686595 0.73 CYP1A2 (0.31) CYP1A2CYP2D6CYP2C19
SCHEMBL11360945 0.73 DYRK3 (0.32) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7812654 0.72
SCHEMBL3346700 0.72
SCHEMBL1185934 0.72

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-20240391909-A1 DISULFIDE COMPOUND, POLYSULFIDE COMPOUND, AND USE THEREOF KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2024-11-28 US disclosed
EP-4424672-A1 DISULFIDE COMPOUND, POLYSULFIDE COMPOUND, AND USE THEREOF Kumiai Chemical Industry Co., Ltd. (JP) 2024-09-04 EP disclosed
CN-117545741-A Disulfide, polysulfide and use thereof 组合化学工业株式会社 2024-02-09 CN disclosed
WO-2023074828-A1 DISULFIDE COMPOUND, POLYSULFIDE COMPOUND, AND USE THEREOF クミアイ化学工業株式会社 2023-05-04 WO disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 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-20240391909-A1 DISULFIDE COMPOUND, POLYSULFIDE COMPOUND, AND USE THEREOF STS, SQOR, PRDX2 ALDH1A1 3820/4885CYP1A2 184/4885CYP3A4 894/4885

“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.