SCHEMBL6949529

SCHEMBL6949529

CC(C)(C)OC(=O)NC(CC(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 6/20 0.56
S1PR3 Q99500 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTSA P10619 1/20 0.42
FFAR1 O14842 2/20 0.42
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
ITGB5 P18084 1/20 0.40
ITGB6 P18564 1/20 0.40
ITGB8 P26012 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL17697902 0.89 CYP26A1 (0.46) CYP26A1S1PR3CTSA
SCHEMBL16689353 0.89 CYP26A1 (0.46) CYP26A1S1PR3CTSA
SCHEMBL390624 0.85 KMT2A (0.53) CYP26A1S1PR3ALDH1A1LMNACTSA
SCHEMBL391918 0.85 KMT2A (0.53) CYP26A1S1PR3ALDH1A1LMNACTSA
SCHEMBL391917 0.85 KMT2A (0.53) CYP26A1S1PR3ALDH1A1LMNACTSA
SCHEMBL27952277 0.85 S1PR3 (0.46) CYP26A1S1PR3ALDH1A1LMNAHTT
SCHEMBL742765 0.84 CTSL (0.50) CYP26A1S1PR3CTSACTSSCTSK
SCHEMBL742764 0.84 CTSL (0.50) CYP26A1S1PR3CTSACTSSCTSK
SCHEMBL31549516 0.84 CTSL (0.50) CYP26A1S1PR3CTSACTSSCTSK
SCHEMBL26985458 0.84 CTSL (0.50) CYP26A1S1PR3CTSACTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610882-B2 Affinity for bradykinin receptors; antithrombotics SANOFI-SYNTHELABO (FR) 2003-08-26 US disclosed
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2003-04-17 US disclosed
US-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-08-22 US disclosed
US-6433185-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS SANOFI-SYNTHELABO (FR) 2002-08-13 US disclosed
US-6313120-B1 TREATMENT OR PREVENTION OF DISEASES INVOLVING BRADYKININ RECEPTORS SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
US-6100278-A COMPOUNDS HAVING AFFINITY FOR BRADYKININ RECEPTORS; ANTIINFLAMMATORY AGENTS SANOFI-SYNTHELABO (FR) 2000-08-08 US disclosed
US-6015812-A N-(arylsulphonyl)amino acid derivatives having bradykinin receptor affinity SANOFI-SYNTHELABO (FR) 2000-01-18 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 (2 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-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D CYP26A1 97/4885S1PR3 3065/4885ALDH1A1 503/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D CYP26A1 97/4885S1PR3 3065/4885ALDH1A1 503/4885

“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.