SCHEMBL3065877

SCHEMBL3065877

CC(=O)C(c1ccc(CC(C)C)cc1C)S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
EPHX1 P07099 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
CXCR1 P25024 4/20 0.36
CXCR2 P25025 4/20 0.36
LMNA P02545 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36

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
SCHEMBL12648271 0.73 PTGS1 (0.57) GABRA1GABRB2EPHX1CXCR1CXCR2
SCHEMBL2237050 0.69 GABRA1 (0.42) GABRA1GABRB2EPHX1CA12CA1
SCHEMBL12545793 0.68 GABRA1 (0.43) GABRA1GABRB2EPHX1CA12CA1
SCHEMBL15975521 0.68 GABRA1 (0.40) GABRA1GABRB2EPHX1CXCR1CXCR2
SCHEMBL3960388 0.68 GABRA1 (0.66) GABRA1GABRB2LMNAMEN1ALDH1A1
SCHEMBL6666662 0.68 THRB (0.62) THRATHRBMEN1KMT2APTGS2
SCHEMBL3065872 0.68 CXCR1 (0.40) GABRA1GABRB2EPHX1CXCR1CXCR2
SCHEMBL10159905 0.66 AKR1C2 (0.49) GABRA1GABRB2EPHX1CXCR1CXCR2
SCHEMBL3428272 0.66 TSHR (0.48) GABRA1GABRB2CXCR1CXCR2LMNA
SCHEMBL9244145 0.66 ALOX15 (0.48) GABRA1GABRB2LMNAPTGS2PTGS1

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
EP-1590314-B1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ FARMACEUTICI S P A (IT) 2015-08-05 EP disclosed
US-8871784-B2 2-aryl-acetic acids, their derivatives and pharmaceutical compositions containing them DOMPE'S.P.A. (IT) 2014-10-28 US disclosed
US-20100267726-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA.R.MA S.P.A. (IT) 2010-10-21 US disclosed
EP-1590314-A2 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe' S.P.A. (IT) 2005-11-02 EP disclosed
WO-2004069782-A2 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2004-08-19 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-20100267726-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, MMP8, CXCR1 GABRA1 346/4885GABRB2 356/4885EPHX1 1313/4885

“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.