SCHEMBL5462469

SCHEMBL5462469

C=CC(C)C(=O)C(C(=O)O)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.44
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ POLB P06746 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NPC1 O15118 1/20 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
SCHEMBL5479076 0.83 LMNA (0.45) ALOX5ALDH1A1LMNARXFP1POLB
SCHEMBL2305731 0.78 CES2 (0.50) ALOX5CES2CES1KEAP1ALDH1A1
SCHEMBL7537692 0.75 ALOX5 (0.45) ALOX5CES2CES1KEAP1ALDH1A1
Hydrochloric Acid SCHEMBL31462135 0.75 CES2 (0.47) ALOX5CES2CES1KEAP1ALDH1A1
SCHEMBL27506577 0.74 ALOX5 (0.39) ALOX5CES2CES1KEAP1ALDH1A1
SCHEMBL9814775 0.73 CES2 (0.46) ALOX5CES2CES1KEAP1ALDH1A1
SCHEMBL9814779 0.73 ALOX5 (0.50) ALOX5CES2CES1KEAP1ALDH1A1
SCHEMBL5477852 0.73 ALOX5 (0.44) ALOX5CES2CES1PTGS1PTGS2
SCHEMBL5466726 0.72 SRC (0.37) ALDH1A1KDM4EPTGS2SMN1; SMN2L3MBTL1
SCHEMBL11630933 0.72 CES2 (0.44) ALOX5CES2CES1KEAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149605-A1 Substituted pyrrole derivatives as hmg-coa reductase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2007-06-28 — — US disclosed
EP-1643988-A1 SUBSTITUTED PYRROLE DERIVATIVES AS HMG-COA REDUCTASE INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2006-04-12 — — EP disclosed
WO-2004105752-A1 SUBSTITUTED PYRROLE DERIVATIVES AS HMG-COA REDUCTASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2004-12-09 — — 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 (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-20070149605-A1 Substituted pyrrole derivatives as hmg-coa reductase inhibitors HMGCR, CYP46A1, GRHPR ALOX5 452/4885CES2 1603/4885CES1 90/4885

“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.

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