SCHEMBL1470754

SCHEMBL1470754

CC1CN(c2ccc(C(F)(F)F)cc2)CC(C)N1S(=O)(=O)c1ccc2c(c1)C(C(=O)O)CC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
PPARD Q03181 1/20 0.41
SLC6A9 P48067 4/20 0.40
HSD11B1 P28845 1/20 0.39
PSEN1 P49768 4/20 0.38
PSEN2 P49810 4/20 0.38
APH1B Q8WW43 4/20 0.38
NCSTN Q92542 4/20 0.38
APH1A Q96BI3 4/20 0.38
PSENEN Q9NZ42 4/20 0.38
HTR6 P50406 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
GAA P10253 1/20 0.36
ACHE P22303 1/20 0.35
TRPA1 O75762 2/20 0.35
AKR1C3 P42330 1/20 0.35
HDAC1 Q13547 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
SCHEMBL1470752 1.00 NOTUM (0.41) NOTUMPPARDSLC6A9HSD11B1PSEN1
SCHEMBL20309069 1.00 NOTUM (0.41) NOTUMPPARDSLC6A9HSD11B1PSEN1
SCHEMBL12750002 0.88 ACHE (0.43) PPARDHSD11B1ACHEAKR1C3
SCHEMBL1470374 0.88 PPARD (0.55) NOTUMPPARDHSD11B1HTR6CHRM2
SCHEMBL1470371 0.88 PPARD (0.55) NOTUMPPARDHSD11B1HTR6CHRM2
SCHEMBL1471176 0.87 HSD11B1 (0.39) NOTUMPPARDHSD11B1
SCHEMBL1471177 0.87 HSD11B1 (0.39) NOTUMPPARDHSD11B1
SCHEMBL1470442 0.87 NOTUM (0.47) NOTUMPPARDHSD11B1
SCHEMBL1470445 0.87 NOTUM (0.47) NOTUMPPARDHSD11B1
SCHEMBL1471289 0.87 HSD11B1 (0.45) HSD11B1PSEN1PSEN2APH1BNCSTN

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 NOTUM 409/4885PPARD 3/4885SLC6A9 3521/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD NOTUM 409/4885PPARD 3/4885SLC6A9 3521/4885
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD NOTUM 409/4885PPARD 3/4885SLC6A9 3521/4885
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD NOTUM 409/4885PPARD 3/4885SLC6A9 3521/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD NOTUM 409/4885PPARD 3/4885SLC6A9 3521/4885

“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.