SCHEMBL3369946

SCHEMBL3369946

CCCCCCOc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
NR5A1 Q13285 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
TP53 P04637 1/20 0.54
PLA2G4B P0C869 1/20 0.53
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RARB P10826 3/20 0.50
LTA4H P09960 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL10609795 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL10600260 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL7766693 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL1111500 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL10606881 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL10606406 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL10608025 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL10610971 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL10708683 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7
SCHEMBL7280610 1.00 TSHR (0.62) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARM INC (US) 2019-10-24 US disclosed
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US disclosed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 WO disclosed
US-4874894-A Process for the production of benzenesulfonamides HILTON DAVIS CO. (US) 1989-10-17 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 (3 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-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 TSHR 2513/4885CA12 993/4885CA1 2552/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 TSHR 2060/4885CA12 767/4885CA1 2394/4885
US-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE UGCG, MAN2B1, GBA1 TSHR 4258/4885CA12 2763/4885CA1 2972/4885

“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.