SCHEMBL4138150

SCHEMBL4138150

O=C(O)CN1CCS(O)(O)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
SLC6A9 P48067 1/20 0.36
GAA P10253 1/20 0.32
S1PR1 P21453 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4138147 0.81 HSD17B10 (0.50) HSD17B10SLC6A9KDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL19148315 0.79 HSD17B10 (0.48) HSD17B10SLC6A9KDM4EALDH1A1CYP1A2
Tetraxetan SCHEMBL2635294 0.79 HSD17B10 (0.64) HSD17B10SLC6A9GAAS1PR1KDM4E
Tetraxetan SCHEMBL2017956 0.79 HSD17B10 (0.64) HSD17B10SLC6A9GAAS1PR1KDM4E
SCHEMBL6744121 0.79 HSD17B10 (0.64) HSD17B10SLC6A9GAAS1PR1KDM4E
SCHEMBL6848102 0.79 HSD17B10 (0.64) HSD17B10SLC6A9GAAS1PR1KDM4E
Tetraxetan SCHEMBL18018 0.79 HSD17B10 (0.64) HSD17B10SLC6A9GAAS1PR1KDM4E
SCHEMBL321989 0.79 HSD17B10 (0.64) HSD17B10SLC6A9GAAS1PR1KDM4E
SCHEMBL173508 0.79 HSD17B10 (0.64) HSD17B10SLC6A9GAAS1PR1KDM4E
SCHEMBL3503521 0.79 HSD17B10 (0.64) HSD17B10SLC6A9GAAS1PR1KDM4E

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
WO-2024121046-A1 AMIDE COMPOUNDS AS ACTIVATORS OF THE POTASSIUM CHANNELS KV7.2/KV7.3 USEFUL IN THE TREATMENT OF CNS AND PNS DISORDERS ANGELINI PHARMA S.P.A. (IT) 2024-06-13 WO disclosed
WO-2023218203-A1 DIHYDROINDENE DERIVATIVES AS MALT1 INHIBITORS C4X DISCOVERY LIMITED (GB) 2023-11-16 WO disclosed
EP-3478662-B1 AZADECALIN DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO5) LTD (GB) 2020-09-16 EP disclosed
US-20190023733-A1 AMINE DERIVATIVES OF LUPANES WITH HIV MATURATION INHIBITORY ACTIVITY GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-01-24 US disclosed
US-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2014-08-07 US disclosed
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 US disclosed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US 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-20140221361-A1 C-19 MODIFIED TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY CYP51A1, UGT2B17, CYP4A22 HSD17B10 77/4885SLC6A9 4023/4885GAA 987/4885
US-20080200460-A1 Chemical Compounds CCR5, CXCR4, CXCR5 HSD17B10 2020/4885SLC6A9 2849/4885GAA 4767/4885
US-20190023733-A1 AMINE DERIVATIVES OF LUPANES WITH HIV MATURATION INHIBITORY ACTIVITY LSS, FURIN, CYP51A1 HSD17B10 785/4885SLC6A9 1346/4885GAA 215/4885
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT HSD17B10 1951/4885SLC6A9 1083/4885GAA 4539/4885

“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.