SCHEMBL23927283

SCHEMBL23927283

Brc1ccc(CSSCc2ccc(Br)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.54
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CYP2A6 P11509 1/20 0.47
▸ TAAR1 Q96RJ0 3/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ MAOB P27338 2/20 0.45
▸ EPHX1 P07099 2/20 0.44
▸ LMNA P02545 1/20 0.40

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
SCHEMBL4263212 0.89 IDO1 (0.50) IDO1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL23961307 0.88 IDO1 (0.45) IDO1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL9344493 0.82 MEN1 (0.61) IDO1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL2030465 0.78 IDO1 (0.50) IDO1MEN1KMT2AHSD17B10CYP2A6
SCHEMBL19869137 0.78 MAPT (0.42) IDO1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL9342625 0.76 MEN1 (0.55) IDO1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL835524 0.74 MEN1 (0.53) IDO1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL19869165 0.73 MAOB (0.40) IDO1MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL623057 0.73 — —
SCHEMBL23992950 0.72 MEN1 (0.52) IDO1MEN1KMT2AHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139281-B1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES UNIV HEIDELBERG (DE) 2024-05-08 — — EP disclosed
CN-115974832-B Disulfide bond-containing N-acetyl-L-cysteine derivative and preparation method and application thereof 山东大学 2023-08-01 — — CN disclosed
US-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2023-05-18 — — US disclosed
US-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2023-05-18 — — US disclosed
US-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2023-05-18 — — US disclosed
CN-115974832-A Disulfide bond-containing N-acetyl-L-cysteine derivative and preparation method and application thereof 山东大学 2023-04-18 — — CN disclosed
EP-3901135-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2021-10-27 — — EP disclosed
CN-107325058-B Diaryl methylene disulfide compound and preparation method and application thereof 苏州大学 2020-07-24 — — CN disclosed
CN-107325058-A Two fragrant methylene disulfide compounds and preparation method and application 苏州大学 2017-11-07 — — CN 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-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES TST, CBS, CTH IDO1 1812/4885MEN1 2766/4885KMT2A 3095/4885

“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.

Send feedback