SCHEMBL6601720

SCHEMBL6601720

CCCOCCOS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
PLCG1 P19174 1/20 0.41
CA2 P00918 6/20 0.38
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
CA7 P43166 3/20 0.38
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 2/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
NHERF1 O14745 1/20 0.35
LMNA P02545 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
SCHEMBL27649868 0.91 PLCG1 (0.45) GAAPLCG1CA2CA12CA1
SCHEMBL11222461 0.87 PLCG1 (0.52) GAAPLCG1CA2CA12CA1
SCHEMBL10034798 0.86 ALDH1A1 (0.47) GAACA2CA12CA1CA9
SCHEMBL2558543 0.86 ALDH1A1 (0.47) GAACA2CA12CA1CA9
SCHEMBL13449850 0.86 ALDH1A1 (0.47) GAACA2CA12CA1CA9
SCHEMBL3896363 0.86 ALDH1A1 (0.47) GAACA2CA12CA1CA9
SCHEMBL12595176 0.86 ALDH1A1 (0.47) GAACA2CA12CA1CA9
SCHEMBL19999152 0.86 ALDH1A1 (0.47) GAACA2CA12CA1CA9
SCHEMBL15307981 0.86 ALDH1A1 (0.47) GAACA2CA12CA1CA9
SCHEMBL19229836 0.84 CA2 (0.46) GAAPLCG1CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1072601-B1 4-arylpiperidine derivatives for the treatment of pruritus PFIZER (US) 2004-09-08 EP disclosed
US-6750231-B2 SKIN DISORDERS; GASTROINTESTINAL DISORDERS PFIZER INC 2004-06-15 US disclosed
US-6518282-B1 Treatment of pruritic dermatoses including allergic dermatitis and atopy in animals and humans PFIZER INC. 2003-02-11 US disclosed
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus GIBSON STEPHEN PAUL (GB) 2003-01-02 US disclosed
EP-1072595-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP disclosed
EP-1072601-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP 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-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus HRH2, HRH4, HRH1 GAA 4466/4885PLCG1 1619/4885CA2 4684/4885

“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.