SCHEMBL4745988

SCHEMBL4745988

Oc1cc(F)cc(F)c1I

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
ERN1 O75460 1/20 0.37
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
ACE P12821 1/20 0.31
PTGS1 P23219 1/20 0.31
IDO1 P14902 1/20 0.31
SPR P35270 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
SCHEMBL29812175 1.00 CA9 (0.44) CA9CA3CA6CA5ACA14
SCHEMBL18341938 0.86 CA9 (0.45) CA9CA3CA6CA5ACA14
SCHEMBL2929573 0.80 CES2 (0.36) CA9CA12CA1ERN1CES2
Phosphine SCHEMBL28854043 0.77 CES2 (0.35) CA9CA12CA1ERN1CES2
SCHEMBL25085814 0.75 TSHR (0.41) CA9CA3CA6CA5ACA14
SCHEMBL30994085 0.75 PTGS1 (0.38) CA9CA3CA6CA5ACA14
SCHEMBL30412164 0.75 CA9 (0.36) CA9CA3CA6CA5ACA14
SCHEMBL31644952 0.75 SELL (0.52) CA9CA3CA6CA5ACA14
SCHEMBL23899974 0.75 CA9 (0.36) CA9CA3CA6CA5ACA14
SCHEMBL30890596 0.75 CYP3A4 (0.35) CA9CA3CA6CA5ACA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166612-A1 ARYLTHIOETHER ACETAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. 2024-05-23 US disclosed
EP-4294523-A1 ARYLTHIOETHER ACETAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-Biotix Therapeutics, Inc. (US) 2023-12-27 EP disclosed
WO-2022178228-A1 ARYLTHIOETHER ACETAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
WO-2008114123-A1 SPIRO BENZIMIDAZOLE DERIVATIVES AS ACID PUMP INHIBITORS RAQUALIA PHARMA INC. (JP) 2008-09-25 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 (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-20240166612-A1 ARYLTHIOETHER ACETAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AGXT, AADAC, AGPAT2 CA9 1100/4885CA3 4324/4885CA6 1440/4885

“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.