SCHEMBL21472948

SCHEMBL21472948

Cc1cc(C)c(COS(=O)(=O)C(F)(F)F)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
NR3C1 P04150 3/20 0.36
PGR P06401 3/20 0.36
NR3C2 P08235 3/20 0.36
FFAR4 Q5NUL3 2/20 0.35
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
RAPGEF4 Q8WZA2 4/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL16140143 0.79 CA1 (0.41) CA2CA1CA12CA7CA13
SCHEMBL24146060 0.77 CA1 (0.38) CA2CA1CA12CA7CA13
SCHEMBL14948443 0.77 CA2 (0.35) CA2CA1MAPTL3MBTL1
SCHEMBL5677195 0.73 CA2 (0.65) CA2CA1KMT2AMAPT
SCHEMBL27529567 0.72 CA1 (0.37) CA2CA1CA12CA7CA13
SCHEMBL5561363 0.72 FFAR4 (0.37) CA2CA1NR3C1PGRNR3C2
Ammonia Solution, Strong SCHEMBL28355326 0.71 CA2 (0.63) CA2CA1KMT2AMAPT
SCHEMBL29104337 0.71 CA2 (0.40) CA2CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5676953 0.71 IDO1 (0.50) CA2CA1FFAR4
SCHEMBL776616 0.71 CA2 (0.44) CA2CA1CA12CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691938-B2 Process for preparing 2,6-dialkylphenylacetic acids BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 US disclosed
US-20210403406-A1 PROCESS FOR PREPARING 2,6-DIALKYLPHENYLACETIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2021-12-30 US disclosed
WO-2019197232-A1 PROCESS FOR PRODUCING 2,6-DIALKYLPHENYL ACETIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 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 (2 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-20210403406-A1 PROCESS FOR PREPARING 2,6-DIALKYLPHENYLACETIC ACIDS ADH1C, ADH1A, ADH5 CA2 12/4885CA1 114/4885CA12 59/4885
US-11691938-B2 Process for preparing 2,6-dialkylphenylacetic acids ADH1C, ADH1A, ADH5 CA2 12/4885CA1 114/4885CA12 59/4885

“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.