SCHEMBL21872020

SCHEMBL21872020

COc1ccccc1S(=O)(=O)N(Cc1ccc(-c2ccc(O)c(C(=O)O)c2)cc1)Cc1ccc(OCC(=O)O)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.53
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
STAT3 P40763 2/20 0.43
ACLY P53396 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TAS2R14 Q9NYV8 2/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL5164813 0.83 PTPN1 (0.53) PTPN1STAT3ACLYALDH1A1TAS2R14
SCHEMBL5164817 0.82 PTPN1 (0.42) PTPN1STAT3ACLYALDH1A1TAS2R14
SCHEMBL5163348 0.79 PTPN1 (0.47) PTPN1STAT3ACLYALDH1A1TAS2R14
SCHEMBL5163343 0.78 PTPN1 (0.67) PTPN1STAT3ALDH1A1
SCHEMBL5166571 0.77 PTPN1 (0.47) PTPN1ALDH1A1TAS2R14LMNAMAPT
SCHEMBL5166577 0.77 ALDH1A1 (0.41) PTPN1ACLYALDH1A1TAS2R14LMNA
SCHEMBL5164531 0.74 NR1H2 (0.40) ACLYALDH1A1TAS2R14LMNAMAPT
SCHEMBL5164528 0.73 PTPN1 (0.45) PTPN1ALDH1A1TAS2R14LMNAMAPT
SCHEMBL5163073 0.72 PTPN1 (0.45) PTPN1ALDH1A1LMNAMAPTHTT
SCHEMBL5163077 0.71 LMNA (0.40) PTPN1ACLYALDH1A1TAS2R14LMNA

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-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS PHENEX-FXR GMBH (DE) 2020-04-16 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-20200115357-A1 LIVER X RECEPTORS (LXR) MODULATORS NR1H2, NR1H3, NR1H4 PTPN1 989/4885CA12 4480/4885CA1 4295/4885

“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.