SCHEMBL3971634

SCHEMBL3971634

Cc1ccc(SCCCC(=O)O)c(Oc2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
TSHR P16473 1/20 0.43
LTA4H P09960 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
FFAR4 Q5NUL3 3/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3969195 0.88 TSHR (0.43) PTGS2TSHRPPARGFFAR4CYP1A2
SCHEMBL3976053 0.77 LMNA (0.48) PTGS2ALDH1A1GAAL3MBTL1
SCHEMBL26717425 0.77 PTGS2 (0.54) PTGS2TSHRPPARACYP1A2CYP2E1
SCHEMBL27924218 0.74 PPARA (0.43) LTA4HPPARGPPARAFFAR4CXCR1
SCHEMBL8164337 0.74 TSHR (0.57) PTGS2TSHRPPARGPPARACYP1A2
SCHEMBL4276529 0.73 TSHR (0.54) PTGS2TSHRALDH1A1GAAL3MBTL1
SCHEMBL417882 0.72 TSHR (0.44) PTGS2TSHRALDH1A1
SCHEMBL11576661 0.71 HSD17B10 (0.50) PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL414504 0.69 ALDH1A1 (0.70) TSHRFFAR4CXCR1CXCR2ALDH1A1
SCHEMBL11578048 0.69 KDM4E (0.50) SLC6A2SLC6A4SLC6A3P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491747-B2 4-(Arylthio)- or (4-heteroarylthio)butyric acid derivatives that may be used in the treatment of dyslipidaemia, atherosclerosis and diabetes MERCK PATENT GMBH (DE) 2009-02-17 US disclosed
US-20050020651-A1 Butyric acid derivatives MERCK PATENT GMBH (DE) 2005-01-27 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 (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-20050020651-A1 Butyric acid derivatives GPR119, DBI, GABRB1 PTGS2 3110/4885TSHR 1886/4885LTA4H 615/4885

“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.