SCHEMBL17168317

SCHEMBL17168317

O=S(=O)(OCCCc1ccc(-c2ccccc2)cc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
CA1 P00915 2/20 0.54
FDFT1 P37268 3/20 0.43
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
FFAR1 O14842 1/20 0.41
HDAC2 Q92769 2/20 0.41
CA9 Q16790 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL4625553 0.90 CA2 (0.55) CA2CA1FFAR1CA9
SCHEMBL8007555 0.85 CA2 (0.54) CA2CA1FFAR1CA9
SCHEMBL8077441 0.84 CA2 (0.53) CA2CA1FFAR1CA9
SCHEMBL8441263 0.84 CA2 (0.53) CA2CA1FFAR1CA9
SCHEMBL16394942 0.81 CA2 (0.54) CA2CA1
SCHEMBL6616820 0.81 KDM4E (0.45) FDFT1MMP12MMP13HRH4HRH3
SCHEMBL17168321 0.80 MITF (0.54) CA2CA1
SCHEMBL17708496 0.80 CA2 (0.52) CA2CA1CA9
SCHEMBL6586107 0.80 CA2 (0.68) CA2CA1CA9
SCHEMBL17168168 0.79 CA2 (0.51) CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321045-B2 Catalyst and process for synthesising the same THE UNIVERSITY OF WARWICK (GB) 2016-04-26 US disclosed
US-20150290634-A1 Catalyst and Process for Synthesising the Same THE UNIVERSITY OF WARWICK (GB) 2015-10-15 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 (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-20150290634-A1 Catalyst and Process for Synthesising the Same CBR3, SPR, RNF5 CA2 3693/4885CA1 4151/4885FDFT1 753/4885

“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.