SCHEMBL6152929

SCHEMBL6152929

CS(=O)(=O)OCc1ccccc1C1OCCCO1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.34
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 2/20 0.30
LMNA P02545 1/20 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
SCHEMBL11941054 0.78 CTSB (0.41) CTSBALDH1A1SMN1; SMN2HTTPKM
SCHEMBL18795859 0.74 SLC6A2 (0.32)
SCHEMBL5273095 0.74 CYP1A2 (0.41) CTSBALDH1A1SMN1; SMN2HTTCYP1A2
SCHEMBL6156151 0.72 APOBEC3G (0.35) SMN1; SMN2PKMCYP1A2HPGD
SCHEMBL19974316 0.71 MAOB (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL11941061 0.71 CTSB (0.43) CTSBHTTCYP2D6LMNA
SCHEMBL14465955 0.70 CYSLTR2 (0.36) PKM
Hydrogen Sulfide SCHEMBL27764015 0.70 MAOB (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL1539398 0.70 NISCH (0.45) CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL1683329 0.70 SLC6A2 (0.37) CTSBALDH1A1HTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US disclosed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP disclosed
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 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-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 CTSB 1151/4885ALDH1A1 1798/4885SMN1; SMN2 4324/4885

“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.