SCHEMBL6945238

SCHEMBL6945238

O=S(=O)(O)c1ccc2c(c1)CCCC2.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA12 O43570 4/20 0.58
CA7 P43166 3/20 0.58
CA14 Q9ULX7 3/20 0.58
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 1/20 0.50
DPP4 P27487 1/20 0.49
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
STS P08842 1/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.44
ING2 Q9H160 1/20 0.44

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
SCHEMBL7427733 0.98 CA1 (0.60) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL11153185 0.96 CA1 (0.58) CA1CA2CA12CA7CA14
SCHEMBL7909287 0.96 CA1 (0.63) CA1CA2CA12CA7CA14
SCHEMBL2634017 0.94 CA1 (0.66) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL4235994 0.92 CA1 (0.63) CA1CA2CA12CA7CA14
Trifluoroacetic Acid SCHEMBL8125900 0.85 KDM4E (0.51) CA1CA2CA12CA7CA14
SCHEMBL9646810 0.78 CA12 (0.56) CA1CA2CA12CA7CA14
SCHEMBL2332880 0.78 ALDH1A1 (0.44) CA1CA2CA12CA7CA14
SCHEMBL11948273 0.78 PNMT (0.61) CA1CA2CA12CA7CA14
SCHEMBL2330175 0.78 CA12 (0.60) CA1CA2CA12CA7CA14

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 CA1 4462/4885CA2 3740/4885CA12 4720/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D CA1 4462/4885CA2 3740/4885CA12 4720/4885

“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.