SCHEMBL6676593

SCHEMBL6676593

CNC(=O)c1cc(S(=O)(=O)c2ccc(CCNCc3ccccc3)cc2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.54
CA2 P00918 8/20 0.54
CA12 O43570 6/20 0.54
CA4 P22748 4/20 0.54
CA9 Q16790 4/20 0.54
HDAC1 Q13547 1/20 0.47
TUBB P07437 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
STAT6 P42226 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6675966 0.87 CA1 (0.54) CA1CA2CA12CA4CA9
SCHEMBL6679489 0.84 CA1 (0.51) CA1CA2CA12CA4CA9
SCHEMBL6805270 0.80 CA1 (0.56) CA1CA2CA12CA4CA9
SCHEMBL6677345 0.80 CA1 (0.53) CA1CA2CA12CA4CA9
SCHEMBL6680446 0.79 KDM4E (0.48) CA1CA2CA12CA4CA9
SCHEMBL6540205 0.78 CA1 (0.69) CA1CA2CA12CA4CA9
SCHEMBL6679701 0.78 CA1 (0.51) CA1CA2CA12CA4CA9
SCHEMBL6541401 0.78 CA1 (0.59) CA1CA2CA12CA4CA9
SCHEMBL6540330 0.77 CA1 (0.58) CA1CA2CA12CA4CA9
SCHEMBL6679815 0.77 ADRB3 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444248-A2 NOVEL ANTI-INFLAMMATORY ANDROSTANE DERIVATIVES - 17-CARBOXY-LACTONE SUBSTITUTED STEROIDS WITH AN ARYL-CARBOXYLIC ESTER IN POSITION 17.ALPHA GLAXO GROUP LIMITED (GB) 2004-08-11 EP disclosed
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed
WO-2003035668-A2 NOVEL ANTI-INFLAMMATORY ANDROSTANE DERIVATIVES -17-CARBOXY-LACTONE SUBSTITUTED STEROIDS WITH AN ARYL-CARBOXYLIC ESTER IN POSITION 17.ALPHA GLAXO GROUP LIMITED (GB) 2003-05-01 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 CA1 2450/4885CA2 696/4885CA12 1959/4885

“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.