SCHEMBL2802287

SCHEMBL2802287

Cc1ccc(CSSCc2ccc(C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.54
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 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
HSD17B10 Q99714 1/20 0.48
ACHE P22303 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2A6 P11509 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
RAB9A P51151 1/20 0.45
AGXT P21549 2/20 0.44
BCHE P06276 4/20 0.42
RECQL P46063 2/20 0.42
GAA P10253 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
SCHEMBL17752846 0.90 ACHE (0.53) IDO1ALDH1A1CYP2C19ACHETDP1
SCHEMBL4260106 0.89 IDO1 (0.50) IDO1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9976773 0.89 IDO1 (0.50) IDO1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9976771 0.88 BCHE (0.58) IDO1ALDH1A1ACHERAB9ABCHE
SCHEMBL25464570 0.82 BCHE (0.61) IDO1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL915196 0.82 IDO1 (0.54) IDO1ALDH1A1CYP1A2ACHETDP1
SCHEMBL13430587 0.81 IDO1 (0.44) IDO1ALDH1A1CYP1A2ACHECYP2A6
SCHEMBL515186 0.80 MAPT (0.56) IDO1ALDH1A1CYP1A2ACHETDP1
SCHEMBL9976774 0.79 BCHE (0.54) IDO1ALDH1A1ACHERAB9ABCHE
SCHEMBL9976775 0.79 ACHE (0.54) IDO1ALDH1A1CYP1A2CYP3A4ACHE

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 17 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
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-114989053-A Method for synthesizing asymmetric disulfide by cross coupling of thiophenol and sulfoxide 温州大学新材料与产业技术研究院 2022-09-02 CN disclosed
WO-2021214243-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2021-10-28 WO disclosed
EP-3901135-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES Universität Heidelberg (DE) 2021-10-27 EP 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
US-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 US disclosed
US-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 US disclosed
US-8202997-B2 Compositions and methods for treating or preventing hypoxic or ischemic injury IKARIA, INC. (US) 2012-06-19 US disclosed
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-05-27 US disclosed
WO-2010045582-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY IKARIA, INC. (US) 2010-04-22 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 (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-20230151054-A1 SULFUR EXTRUSION FROM DISULFIDES BY CARBENES TST, CBS, CTH IDO1 1812/4885ALDH1A1 1786/4885CYP1A2 1247/4885
US-20100130555-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HYPOXIC OR ISCHEMIC INJURY HIF1AN, HIF1A, HYOU1 IDO1 935/4885ALDH1A1 301/4885CYP1A2 2503/4885

“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.