SCHEMBL1472793

SCHEMBL1472793

COC(=O)C1CCCC(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
SCHEMBL1472792 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 18 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-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES FEURER ACHIM 2009-01-22 US disclosed
US-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES FEURER ACHIM 2009-01-22 US disclosed
US-7427617-B2 Morpoline-bridged indazole derivatives BAYER HEALTHCARE AG (DE) 2008-09-23 US disclosed
US-7427617-B2 Morpoline-bridged indazole derivatives BAYER HEALTHCARE AG (DE) 2008-09-23 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
US-20060128700-A1 e.g. 2-[1-(2-Fluorobenzyl)-1H-indazol-3-yl]-5-(3-oxa-9-azabicyclo[3.3.1]non-9-yl)-4pyrimidinylamine; soluble guanylate cyclase stimulant; neurodegenerative diseases, cognition activator; Alhzeimer's, Parkinson's disease, Pick's syndrome, multiple sclerosis, HIV dementia, schizophrenia BAYER HEALTHCARE AG (DE) 2006-06-15 US disclosed
US-20040235863-A1 Morpholine-bridged pyrazolopyridine derivatives BAYER HEALTHCARE AG (DE) 2004-11-25 US disclosed
EP-1406908-A1 MORPHOLINE-BRIDGED PYRAZOLOPYRIDINE DERIVATIVES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003004503-A1 MORPHOLINE-BRIDGED PYRAZOLOPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-01-16 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 (8 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-20090023717-A1 MORPHINE-BRIDGED INDAZOLE DERIVATIVES OPRM1, OPRK1, OPRD1 FKBP1A 778/4885LTA4H 2328/4885CYP3A4 258/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD FKBP1A 2084/4885LTA4H 2936/4885CYP3A4 1506/4885
US-20060128700-A1 e.g. 2-[1-(2-Fluorobenzyl)-1H-indazol-3-yl]-5-(3-oxa-9-azabicyclo[3.3.1]non-9-yl)-4pyrimidinylamine; soluble guanylate cyclase stimulant; neurodegenerative diseases, cognition activator; Alhzeimer's, Parkinson's disease, Pick's syndrome, multiple sclerosis, HIV dementia, schizophrenia GUCY1B2, COG4, GUCY1A2 FKBP1A 3775/4885LTA4H 1390/4885CYP3A4 2527/4885
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
US-20040235863-A1 Morpholine-bridged pyrazolopyridine derivatives GUCY1A1, PDE1A, PDE3B FKBP1A 1070/4885LTA4H 3902/4885CYP3A4 2763/4885

“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.