SCHEMBL374562

SCHEMBL374562

C[S+]([O-])CCCCNC(=S)NCCCC[S+](C)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 7/20 0.33
CYP3A4 P08684 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
DUSP3 P51452 1/20 0.32
HRH4 Q9H3N8 2/20 0.32
KDM1A O60341 1/20 0.32
LMNA P02545 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
SCHEMBL26491575 0.88 GAA (0.34) ALDH1A1GAAHRH4
SCHEMBL14734029 0.86 EPHX2 (0.33) ALDH1A1GAAEPHX2
SCHEMBL373838 0.86 EPHX2 (0.39) ALDH1A1GAAEPHX2
SCHEMBL10045633 0.85 ALDH1A1 (0.31) ALDH1A1GAA
SCHEMBL27915728 0.85 EPHX2 (0.33) ALDH1A1GAAEPHX2
SCHEMBL14291373 0.85 ALDH1A1 (0.32) ALDH1A1GAAEPHX2SMN1; SMN2HPGD
SCHEMBL18608848 0.83 HSD17B10 (0.40) ALDH1A1GAACYP3A4HPGD
SCHEMBL13736099 0.83 KMT2A (0.31) ALDH1A1GAAMEN1KMT2A
SCHEMBL17433365 0.83 HSD17B10 (0.40) ALDH1A1GAACYP3A4HPGD
SCHEMBL14999654 0.83 KDM4E (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322666-A1 CRYSTALLINE COMPLEXES Theracryf PLC (GB) 2023-10-12 US disclosed
US-20230322666-A1 CRYSTALLINE COMPLEXES Theracryf PLC (GB) 2023-10-12 US disclosed
US-20230150932-A1 COMPOSITIONS FOR STABILIZING AN ISOTHIOCYANATE VIO CHEMICALS AG (CH) 2023-05-18 US disclosed
US-20230150932-A1 COMPOSITIONS FOR STABILIZING AN ISOTHIOCYANATE VIO CHEMICALS AG (CH) 2023-05-18 US disclosed
US-9254331-B2 Sulforaphane stabilization AURIGA INTERNATIONAL (BE) 2016-02-09 US disclosed
US-9254331-B2 Sulforaphane stabilization AURIGA INTERNATIONAL (BE) 2016-02-09 US disclosed
US-20130142739-A1 PROCESS FOR THE SYNTHESIS OF ISOTHIOCYANATES AND DERIVATIVES THEREOF AND USES OF SAME AURIGA INTERNATIONAL (BE) 2013-06-06 US disclosed
US-20130142739-A1 PROCESS FOR THE SYNTHESIS OF ISOTHIOCYANATES AND DERIVATIVES THEREOF AND USES OF SAME AURIGA INTERNATIONAL (BE) 2013-06-06 US disclosed
US-20130142739-A1 PROCESS FOR THE SYNTHESIS OF ISOTHIOCYANATES AND DERIVATIVES THEREOF AND USES OF SAME AURIGA INTERNATIONAL (BE) 2013-06-06 US disclosed
US-20130143963-A1 SULFORAPHANE STABILIZATION AURIGA INTERNATIONAL (BE) 2013-06-06 US disclosed
US-20130143963-A1 SULFORAPHANE STABILIZATION AURIGA INTERNATIONAL (BE) 2013-06-06 US disclosed
US-20130143963-A1 SULFORAPHANE STABILIZATION AURIGA INTERNATIONAL (BE) 2013-06-06 US disclosed
WO-2012010587-A1 SULFORAPHANE STABILIZATION AURIGA INTERNATIONAL (BE) 2012-01-26 WO disclosed
EP-2409693-A2 Isothiocyanates and derivatives for use in the treatment and / or prevention of polymorphous light eruptions Auriga International (BE) 2012-01-25 EP disclosed
WO-2008015315-A1 THIOUREA-CONTAINING MEDICINAL COMPOUNDS FOR TREATING CANCER IN ASSOCIATION WITH CHEMOTHERAPUTIC AGENTS OR IONIZING OR NON-IONIZING RADIATION LMD (FR) 2008-02-07 WO disclosed
EP-1553933-B1 MEDICINE COMPRISING A THIOUREA FOR USE AS DEPIGMENTING AGENT OR ANTI-MUTAGENIC AND ANTI-CARCINOGENIC AGENT LMD (FR) 2007-07-25 EP 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-20130142739-A1 PROCESS FOR THE SYNTHESIS OF ISOTHIOCYANATES AND DERIVATIVES THEREOF AND USES OF SAME TST, CBS, SRM ALDH1A1 1586/4885GAA 4488/4885MEN1 2874/4885
US-20230322666-A1 CRYSTALLINE COMPLEXES UACA, SCLY, CCT2 ALDH1A1 4363/4885GAA 351/4885MEN1 2106/4885
US-20230150932-A1 COMPOSITIONS FOR STABILIZING AN ISOTHIOCYANATE TST, FASN, SRM ALDH1A1 1212/4885GAA 745/4885MEN1 1922/4885
US-20130143963-A1 SULFORAPHANE STABILIZATION GLB1, SULT2A1, GALC ALDH1A1 406/4885GAA 305/4885MEN1 2299/4885

“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.