SCHEMBL3595528

SCHEMBL3595528

CC(CCC(=O)OC(=O)CCC(C)C(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
GABRR1 P24046 2/20 0.50
ALDH1A1 P00352 1/20 0.44
LTA4H P09960 1/20 0.44
BLM P54132 1/20 0.43
ACE2 Q9BYF1 1/20 0.41
LMNA P02545 1/20 0.37
SLC1A1 P43005 1/20 0.36
NAALAD2 Q9Y3Q0 3/20 0.35
TBXAS1 P24557 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34

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
SCHEMBL26668900 0.94 CYP1A2 (0.56) CYP1A2GABRR1ALDH1A1LTA4HBLM
SCHEMBL29061933 0.90 CYP1A2 (0.52) CYP1A2GABRR1ALDH1A1LTA4HBLM
SCHEMBL12356342 0.84 CYP1A2 (0.60) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL1835136 0.84 CYP1A2 (0.60) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL1835138 0.84 CYP1A2 (0.60) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL4421080 0.84 CYP1A2 (0.60) CYP1A2GABRR1ALDH1A1LTA4HBLM
SCHEMBL25480895 0.82 CYP1A2 (0.58) CYP1A2GABRR1ALDH1A1LTA4HBLM
SCHEMBL11076712 0.80 CYP1A2 (0.56) CYP1A2GABRR1ALDH1A1LTA4HBLM
SCHEMBL11076713 0.80 CYP1A2 (0.56) CYP1A2GABRR1ALDH1A1LTA4HBLM
SCHEMBL5139179 0.79 GABRR1 (0.72) CYP1A2GABRR1LTA4HBLMACE2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed
EP-0417143-A1 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1991-03-20 EP disclosed
WO-1989011856-A2 CYCLIC LACTAMS FOR CHOLESTEROL AND ATHEROSCLEROSIS CONTROL THE UPJOHN COMPANY (US) 1989-12-14 WO disclosed
US-4885385-A INTENSE, COLORFAST, BLUE DYES FOR HYDROXY- OR POLYAMIDO-CONTAINING FIBERS HOECHST AKTIENGESELLSCHAFT (DE) 1989-12-05 US disclosed
US-4774333-A Water-soluble triphendioxazine compounds and sulfonyl-containing precursors thereof, processes for the preparation thereof and use of the triphendioxazines as dyes HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-27 US disclosed
US-4537616-A Herbicidal 2,6-dioxocyclohexylidene derivatives UNION CARBIDE CORPORATION (US) 1985-08-27 US disclosed
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 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 (1 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA CYP1A2 658/4885GABRR1 1465/4885ALDH1A1 1049/4885

“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.