SCHEMBL1471082

SCHEMBL1471082

O=C(O)C1Cc2ccc(S(=O)(=O)N3CCN(c4cc(C(F)(F)F)ccn4)CC3)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 4/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CXCR3 P49682 1/20 0.44
HTT P42858 1/20 0.43
HSD11B1 P28845 1/20 0.43
PKM P14618 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRB1 P08588 1/20 0.43
PTPN11 Q06124 2/20 0.42

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
SCHEMBL12749703 0.86 KDM4E (0.60) KDM4EMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1471022 0.83 MAPT (0.52) KDM4EMAPTALDH1A1SMN1; SMN2FFAR4
SCHEMBL1470498 0.83 GAA (0.58) LMNASMN1; SMN2MAPK1RAB9AHTT
SCHEMBL1470412 0.82 HTT (0.61) MAPTALDH1A1LMNAMEN1POLB
SCHEMBL27744695 0.82 MAPT (0.44) KDM4EMAPTALDH1A1FFAR4CXCR3
SCHEMBL1471287 0.80 KDM4E (0.52) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL3613226 0.80 KDM4E (0.74) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL31061254 0.77 KDM4E (0.56) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL5770474 0.76 KDM4E (0.63) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL20308956 0.75 KDM4E (0.60) KDM4EMAPTALDH1A1LMNAMEN1

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 12 patents. 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-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-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-09-10 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-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 US disclosed
EP-1805158-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR Kalypsys, Inc. (US) 2007-07-11 EP 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
WO-2006055187-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2006-05-26 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 (5 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 KDM4E 3245/4885MAPT 4471/4885ALDH1A1 1551/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD KDM4E 3245/4885MAPT 4471/4885ALDH1A1 1551/4885
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD KDM4E 3245/4885MAPT 4471/4885ALDH1A1 1551/4885
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD KDM4E 3245/4885MAPT 4471/4885ALDH1A1 1551/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD KDM4E 3245/4885MAPT 4471/4885ALDH1A1 1551/4885

“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.