SCHEMBL8474160

SCHEMBL8474160

COC(=O)Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.69
MT-CO2 P00403 3/20 0.60
PTGS1 P23219 2/20 0.60
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
LMNA P02545 1/20 0.60
CA3 P07451 1/20 0.60
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
CYP3A4 P08684 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CHRM1 P11229 1/20 0.60
ADRA2B P18089 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
SLC6A2 P23975 1/20 0.60
PDE4A P27815 1/20 0.60
ADORA1 P30542 1/20 0.60

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
SCHEMBL17616750 0.88 PTGS2 (0.66) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL8473260 0.87 PTGS2 (0.64) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL4881634 0.87 PTGS2 (0.77) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL24393595 0.86 PTGS2 (0.64) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL4881595 0.84 PTGS2 (0.72) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL6170005 0.83 PTGS2 (0.50) PTGS2PTGS1PDE3A
SCHEMBL4885453 0.82 PTGS2 (0.69) PTGS2MT-CO2PTGS1CA12CA1
Hydroxylated Derivative SCHEMBL214649 0.82 PTGS2 (1.00) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL4880685 0.82 PTGS2 (0.77) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL8479025 0.81 PTGS2 (0.79) PTGS2MT-CO2PTGS1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-07-19 US disclosed
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-09 US disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 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-20180201627-A9 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 PTGS2 3328/4885MT-CO2 86/4885PTGS1 4352/4885
US-20170037062-A1 ORGANOBORON COMPOUNDS AND METHODS OF MAKING ORGANOBORON COMPOUNDS NDC1, ELOC, UGT2B7 PTGS2 3328/4885MT-CO2 86/4885PTGS1 4352/4885

“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.