SCHEMBL9326232

SCHEMBL9326232

COC(=O)[C@@H]1CSSCC(C)(C)C(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
HTT P42858 1/20 0.40
BACE1 P56817 1/20 0.33
ITGA4 P13612 1/20 0.33
PKM P14618 1/20 0.32
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL22860806 1.00 KMT2A (0.61) KMT2AHTTBACE1ITGA4PKM
SCHEMBL22860756 0.87 KMT2A (0.47) KMT2AHTTITGA4GAA
SCHEMBL22860776 0.84 KMT2A (0.43) KMT2AHTTPKMGAA
Limazocic SCHEMBL9326335 0.83 HTT (0.58) KMT2AHTTITGA4
Limazocic SCHEMBL1230921 0.83 HTT (0.58) KMT2AHTTITGA4
Limazocic SCHEMBL9329801 0.83 HTT (0.58) KMT2AHTTITGA4
SCHEMBL22860781 0.82 KMT2A (0.42) KMT2AHTTGAA
SCHEMBL22860783 0.81 HTT (0.41) KMT2AHTTITGA4
SCHEMBL22860767 0.81 HTT (0.41) KMT2AHTTITGA4
SCHEMBL22860772 0.80 KMT2A (0.41) KMT2AHTTITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082836-A Autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 1992-01-21 US claimed
US-5041435-A Treatment of Liver Disorders and Autoimmune Diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-08-20 US claimed
US-20210000727-A1 DITHIAZOCANE COMPOUNDS FOR THE COSMETIC USE THEREOF L'OREAL (FR) 2021-01-07 US disclosed
EP-0356006-B1 Cyclic sulfur-containing compounds SANTEN PHARMACEUTICAL CO LTD (JP) 1994-03-02 EP disclosed
US-5128467-A Immunomodulation, liver disorders SANTEN PHARMACEUTICAL CO., LTD. (JP) 1992-07-07 US disclosed
US-5082836-A Autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 1992-01-21 US disclosed
US-5041435-A Treatment of Liver Disorders and Autoimmune Diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-08-20 US disclosed
EP-0356006-A1 Cyclic sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 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 (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-20210000727-A1 DITHIAZOCANE COMPOUNDS FOR THE COSMETIC USE THEREOF KRT18, DSG1, KRTCAP2 KMT2A 570/4885HTT 2205/4885BACE1 4047/4885

“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.