SCHEMBL1470504

SCHEMBL1470504

CC1CN(S(=O)(=O)c2ccc3c(c2)C(C(=O)O)CC3)CCN1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
PTGDR Q13258 1/20 0.43
CHRM2 P08172 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 3/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
RECQL P46063 1/20 0.40
PPARD Q03181 1/20 0.40
ESR1 P03372 1/20 0.39
AKR1C3 P42330 1/20 0.39
GCKR Q14397 2/20 0.39
EPHX2 P34913 2/20 0.39
LIPE Q05469 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
SCHEMBL1470506 1.00 SMN1; SMN2 (0.47) SMN1; SMN2PTGDRCHRM2MEN1KMT2A
SCHEMBL12750004 0.87 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2APOLBTP53
SCHEMBL1471187 0.86 HSD17B10 (0.45) SMN1; SMN2MEN1KMT2APOLBTP53
SCHEMBL1470492 0.85 SMN1; SMN2 (0.45) SMN1; SMN2PTGDRMEN1KMT2APOLB
SCHEMBL1470494 0.85 SMN1; SMN2 (0.45) SMN1; SMN2PTGDRMEN1KMT2APOLB
SCHEMBL1470374 0.83 PPARD (0.55) CHRM2MEN1KMT2APPARDESR1
SCHEMBL12750008 0.83 SMN1; SMN2 (0.49) SMN1; SMN2PTGDRMEN1KMT2APOLB
SCHEMBL1470371 0.83 PPARD (0.55) CHRM2MEN1KMT2APPARDESR1
SCHEMBL1471196 0.83 HSD11B1 (0.51) PTGDRCHRM2PPARD
SCHEMBL1471197 0.83 HSD11B1 (0.51) PTGDRCHRM2PPARD

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 10 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
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 (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 SMN1; SMN2 2454/4885PTGDR 100/4885CHRM2 748/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD SMN1; SMN2 2454/4885PTGDR 100/4885CHRM2 748/4885
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD SMN1; SMN2 2454/4885PTGDR 100/4885CHRM2 748/4885
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD SMN1; SMN2 2454/4885PTGDR 100/4885CHRM2 748/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD SMN1; SMN2 2454/4885PTGDR 100/4885CHRM2 748/4885

“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.