SCHEMBL1471036

SCHEMBL1471036

O=C(O)Cc1csc2ccc(S(=O)(=O)N3CCN(c4ccc(C(F)(F)F)cc4F)CC3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 1/20 0.41
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD11B1 P28845 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL13034714 0.88 TSHR (0.52) PTPN11LMNATSHRPKMALDH1A1
SCHEMBL1470418 0.87 GAA (0.48) PTPN11HTTKEAP1NFE2L2PPARG
SCHEMBL1471093 0.83 KDM4E (0.55) LMNAPKMALDH1A1SMN1; SMN2HTT
SCHEMBL1470602 0.82 PTGDR (0.43) PTPN11PKMALDH1A1MEN1KMT2A
SCHEMBL13034715 0.79 PTGDR (0.46) PTPN11LMNATSHRPKMALDH1A1
SCHEMBL13698717 0.78 KEAP1 (0.52) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL13034727 0.77 KMT2A (0.53) LMNAPKMSMN1; SMN2MEN1KMT2A
SCHEMBL13888773 0.73 KEAP1 (0.47) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL13034716 0.73 GAA (0.46) LMNAPKMALDH1A1SMN1; SMN2MEN1
SCHEMBL5776920 0.73 LMNA (0.51) PTPN11LMNATSHRSMN1; SMN2MEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805158-B1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS INC (US) 2018-06-27 EP disclosed
US-7915253-B2 4-[2,6-Dimethyl-4-(4-trifluoromethoxy-phenyl)-piperazine-1-sulfonyl]-indan-2-carboxylic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury KALYPSYS, INC (US) 2011-03-29 US disclosed
US-7915253-B2 4-[2,6-Dimethyl-4-(4-trifluoromethoxy-phenyl)-piperazine-1-sulfonyl]-indan-2-carboxylic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury KALYPSYS, INC (US) 2011-03-29 US disclosed
US-7915253-B2 4-[2,6-Dimethyl-4-(4-trifluoromethoxy-phenyl)-piperazine-1-sulfonyl]-indan-2-carboxylic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury KALYPSYS, INC (US) 2011-03-29 US disclosed
US-7834004-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2010-11-16 US disclosed
US-7834004-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2010-11-16 US disclosed
US-7834004-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2010-11-16 US disclosed
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 US disclosed
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 US disclosed
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-10-22 US disclosed
US-7517884-B2 {5-[4-(4-Trifluoromethyl-phenyl)-piperazine-1-sulfonyl]-indan-2-yl}-acetic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury, diabetes KALYPSYS INC. (US) 2009-04-14 US disclosed
US-7517884-B2 {5-[4-(4-Trifluoromethyl-phenyl)-piperazine-1-sulfonyl]-indan-2-yl}-acetic acid; peroxisome proliferator activated receptors modulator; antidiabetic, antiinflammatory agent; obesity, hyperinsulinemia, metabolic syndrome X, polycystic ovary syndrome, ischemia-associated organ injury, diabetes KALYPSYS INC. (US) 2009-04-14 US disclosed
US-7494999-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2009-02-24 US disclosed
US-7494999-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2009-02-24 US disclosed
US-7494999-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2009-02-24 US disclosed
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 US disclosed
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 US disclosed
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 US disclosed
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC. 2006-09-14 US disclosed
US-20060167012-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC. 2006-07-27 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 (4 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-20060167012-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD PTPN11 717/4885LMNA 2528/4885TSHR 262/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD PTPN11 717/4885LMNA 2528/4885TSHR 262/4885
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD PTPN11 717/4885LMNA 2528/4885TSHR 262/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD PTPN11 717/4885LMNA 2528/4885TSHR 262/4885

“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.