SCHEMBL5477852

SCHEMBL5477852

C=CC(C)C(=O)C(C(=O)O)c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.44
▸ PTGS1 P23219 2/20 0.37
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SRC P12931 1/20 0.32
▸ MME P08473 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ SLC1A3 P43003 2/20 0.30
▸ SLC1A2 P43004 2/20 0.30

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
SCHEMBL5471442 0.82 HPGD (0.42) ALOX5MME
SCHEMBL162736 0.78 SRC (0.50) ALOX5PTGS1LCKFYNDAO
Hydrochloric Acid SCHEMBL11244144 0.76 SRC (0.48) ALOX5PTGS1LCKFYNDAO
SCHEMBL10918696 0.76 SRC (0.48) ALOX5PTGS1LCKFYNDAO
SCHEMBL5466726 0.75 SRC (0.37) SRCPTGS2
SCHEMBL9814548 0.73 ALOX5 (0.50) ALOX5PTGS1LCKFYNDAO
SCHEMBL5462469 0.73 ALOX5 (0.44) ALOX5PTGS1DAOPTGS2CES2
SCHEMBL200194 0.73 LMNA (0.52) ALOX5LCKFYNDAOCHRNB2
SCHEMBL9329422 0.73 LMNA (0.52) ALOX5LCKFYNDAOCHRNB2
SCHEMBL9814555 0.72 ALOX5 (0.41) ALOX5PTGS1LCKFYNDAO

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 452/4885PTGS1 119/4885LCK 3222/4885

“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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