SCHEMBL2238680

SCHEMBL2238680

Cc1cc(NS(=O)(=O)C(F)(F)F)ccc1C[C]=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.45
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN1 P18031 1/20 0.43
EPHX2 P34913 1/20 0.42
CA2 P00918 5/20 0.42
PTGS1 P23219 5/20 0.41
PTGS2 P35354 5/20 0.41
CA1 P00915 3/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HSPD1 P10809 1/20 0.38
HSPE1 P61604 1/20 0.38
ADRA2C P18825 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL6001827 0.85 PTPN11 (0.50) PTPN11MAPK1SMN1; SMN2PTPN1EPHX2
SCHEMBL2237299 0.79 NR1H4 (0.51) PTPN11MAPK1SMN1; SMN2PTPN1EPHX2
SCHEMBL2237081 0.75 EPHX2 (0.46) PTPN11MAPK1SMN1; SMN2PTPN1EPHX2
SCHEMBL2237085 0.74 MAPK1 (0.44) PTPN11MAPK1SMN1; SMN2PTPN1EPHX2
SCHEMBL7208208 0.72 ALDH1A1 (0.50) PTPN11MAPK1SMN1; SMN2PTPN1EPHX2
SCHEMBL3778179 0.69 ADRA2C (0.47) SMN1; SMN2EPHX2CA2CA1SLC6A2
SCHEMBL17774980 0.69 PTPN11 (0.67) PTPN11MAPK1SMN1; SMN2PTPN1CA2
SCHEMBL31349819 0.68 PTPN11 (0.47) PTPN11MAPK1SMN1; SMN2PTPN1CA2
SCHEMBL12153756 0.67 CA2 (0.61) PTPN11MAPK1SMN1; SMN2PTPN1CA2
SCHEMBL1758623 0.67 PYCR1 (0.44) SMN1; SMN2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195967-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA.R.MA S.P.A. (IT) 2011-08-11 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-20110195967-A1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, MMP8, CXCR1 PTPN11 727/4885MAPK1 644/4885SMN1; SMN2 883/4885

“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.