SCHEMBL3065872

SCHEMBL3065872

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 4/20 0.40
CXCR2 P25025 4/20 0.40
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
CYP2C9 P11712 2/20 0.36
AKR1C3 P42330 2/20 0.36
ALOX5 P09917 2/20 0.36
ALB P02768 1/20 0.36
ESR1 P03372 1/20 0.36
RARB P10826 1/20 0.36
ADRB3 P13945 1/20 0.36
NFKB1 P19838 1/20 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
SCHEMBL3065877 0.68 GABRA1 (0.40) CXCR1CXCR2GABRA1GABRB2LMNA
SCHEMBL10159905 0.67 AKR1C2 (0.49) CXCR1CXCR2GABRA1GABRB2LMNA
SCHEMBL3428272 0.67 TSHR (0.48) CXCR1CXCR2GABRA1GABRB2LMNA
SCHEMBL27864666 0.67 GABRA1 (0.45) CXCR1CXCR2GABRA1GABRB2LMNA
SCHEMBL9244145 0.67 ALOX15 (0.48) GABRA1GABRB2LMNAPTGS1PTGS2
SCHEMBL16966302 0.67 SMN1; SMN2 (0.40) CXCR1CXCR2GABRA1GABRB2LMNA
SCHEMBL2237046 0.67 CXCR1 (0.50) CXCR1CXCR2GABRA1GABRB2LMNA
SCHEMBL7562470 0.66 GABRA1 (0.50) CXCR1CXCR2GABRA1GABRB2LMNA
SCHEMBL18878383 0.66 GABRA1 (0.47) CXCR1CXCR2GABRA1GABRB2LMNA
SCHEMBL18941008 0.66 CXCR1 (0.46) CXCR1CXCR2LMNAPTGS1PTGS2

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 CXCR1 3/4885CXCR2 1/4885GABRA1 346/4885

“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.