SCHEMBL1472792

SCHEMBL1472792

COC(=O)[C@H]1CCC[C@@H](C(=O)OC)N1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.64
LTA4H P09960 2/20 0.53
CYP3A4 P08684 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
SLC6A4 P31645 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL1472793 1.00 FKBP1A (0.64) FKBP1ALTA4HCYP3A4KMT2AKDM4E
SCHEMBL13248928 1.00 FKBP1A (0.64) FKBP1ALTA4HCYP3A4KMT2AKDM4E
SCHEMBL1472797 0.96 FKBP1A (0.60) FKBP1ALTA4HCYP3A4KMT2AKDM4E
SCHEMBL5965409 0.94 FKBP1A (0.56) FKBP1ACYP3A4KMT2AKDM4EALDH1A1
SCHEMBL15406170 0.94 FKBP1A (0.56) FKBP1ACYP3A4KMT2AKDM4EALDH1A1
SCHEMBL23043376 0.90 FKBP1A (0.53) FKBP1ACYP3A4KMT2AKDM4EALDH1A1
SCHEMBL9347282 0.90 FKBP1A (0.53) FKBP1ACYP3A4KMT2AKDM4EALDH1A1
SCHEMBL9356129 0.88 CYP3A4 (0.57) FKBP1ACYP3A4KMT2AKDM4EALDH1A1
SCHEMBL8304214 0.88 CYP3A4 (0.57) FKBP1ACYP3A4KMT2AKDM4EALDH1A1
SCHEMBL8304218 0.88 CYP3A4 (0.57) FKBP1ACYP3A4KMT2AKDM4EALDH1A1

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 16 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-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 US disclosed
US-9023656-B2 Reactive mass labels ELECTROPHORETICS LIMITED (GB) 2015-05-05 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
EP-1907860-B1 MASS LABELS ELECTROPHORETICS LTD (GB) 2010-11-17 EP disclosed
US-7834004-B2 Sulfonyl-substituted bicyclic compounds as modulators of PPAR KALYPSYS, INC (US) 2010-11-16 US disclosed
US-20100178710-A1 Mass Labels ELECTROPHORETICS LIMITED (GB) 2010-07-15 US disclosed
US-20100178710-A1 Mass Labels ELECTROPHORETICS LIMITED (GB) 2010-07-15 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
WO-2007012849-A2 MASS LABELS FOR BIOMOLECULES CONTAINING A 2,6-DIMETHYL-PIPERIDIN-l-YL METHYLENE OR A PYRIMIDIN-2-YL THIOMETHYLENE MASS MARKER MOIETY AND A SUCCINIMID-OXY-CARBONYL REACTIVE FUNCTIONAL GROUP ELECTROPHORETICS LIMITED (GB) 2007-02-01 WO 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 (6 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 FKBP1A 2084/4885LTA4H 2936/4885CYP3A4 1506/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD FKBP1A 2084/4885LTA4H 2936/4885CYP3A4 1506/4885
US-20100178710-A1 Mass Labels B2M, SRRM2, CCNB1 FKBP1A 1033/4885LTA4H 3202/4885CYP3A4 3780/4885
US-20090227599-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD FKBP1A 2084/4885LTA4H 2936/4885CYP3A4 1506/4885
US-20060205736-A1 Sulfonyl-substituted bicyclic compounds as modulators of PPAR PPARG, PPARA, PPARD FKBP1A 2084/4885LTA4H 2936/4885CYP3A4 1506/4885
US-20090264417-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD FKBP1A 2084/4885LTA4H 2936/4885CYP3A4 1506/4885

“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.