SCHEMBL6541144

SCHEMBL6541144

O=C(NCCc1ccc(S(=O)(=O)Cl)cc1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.53
CA2 P00918 12/20 0.53
CA9 Q16790 6/20 0.46
CA12 O43570 4/20 0.46
STS P08842 1/20 0.44
GAA P10253 1/20 0.44
CA7 P43166 2/20 0.43
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL6541431 0.91 POLB (0.47) CA1CA2CA9CA12CA7
Hydrochloric Acid SCHEMBL28201878 0.85 CA1 (0.53) CA1CA2CA9CA12STS
SCHEMBL13211050 0.82 CA1 (0.51) CA1CA2CA9CA12GAA
SCHEMBL1094537 0.81 CNR1 (0.57) GAA
SCHEMBL3783605 0.80 KDM4E (0.62) CA1CA2CA9CA12CA7
SCHEMBL6540686 0.79 MTNR1A (0.43) CA1CA2CA9CA7MEN1
SCHEMBL4179064 0.79 HPGD (0.57) CA1CA2CA9CA12MEN1
SCHEMBL6433557 0.79 KDM4E (0.61) CA1CA2GAAMEN1KMT2A
SCHEMBL6540877 0.78 CA1 (0.50) CA1CA2CA9CA12STS
SCHEMBL6540276 0.78 CA1 (0.55) CA1CA2CA9CA12CA7

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
CN-107879955-B Synthetic method of glibenclamide 广州市桐晖药业有限公司 2020-11-20 CN disclosed
CN-107635990-A Derivative, pharmaceutical composition and the application method of new 3 indoles substitution 辉瑞公司 2018-01-26 CN disclosed
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US 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
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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 (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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 CA1 4181/4885CA2 2242/4885CA9 3759/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 CA1 2450/4885CA2 696/4885CA9 1808/4885

“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.