SCHEMBL1472797

SCHEMBL1472797

COC(=O)C1CCCC(C(=O)O)N1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.60
LTA4H P09960 2/20 0.50
CYP3A4 P08684 3/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
MAPT P10636 1/20 0.47
SLC6A4 P31645 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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 0.96 FKBP1A (0.64) FKBP1ALTA4HCYP3A4KMT2AKDM4E
SCHEMBL13248928 0.96 FKBP1A (0.64) FKBP1ALTA4HCYP3A4KMT2AKDM4E
SCHEMBL1472792 0.96 FKBP1A (0.64) FKBP1ALTA4HCYP3A4KMT2AKDM4E
SCHEMBL23043376 0.94 FKBP1A (0.53) FKBP1ACYP3A4KMT2AKDM4EALDH1A1
SCHEMBL9347282 0.94 FKBP1A (0.53) FKBP1ACYP3A4KMT2AKDM4EALDH1A1
SCHEMBL5965409 0.90 FKBP1A (0.56) FKBP1ACYP3A4KMT2AKDM4EALDH1A1
SCHEMBL15406170 0.90 FKBP1A (0.56) FKBP1ACYP3A4KMT2AKDM4EALDH1A1
SCHEMBL6223679 0.88 LMNA (0.48) FKBP1AKMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1471099 0.87 LMNA (0.47) FKBP1AKMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1471103 0.87 LMNA (0.47) FKBP1AKMT2AALDH1A1L3MBTL1

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 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-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.