SCHEMBL20702138

SCHEMBL20702138

NS(=O)(=O)c1ccc(-n2nc(C[SH](=O)=O)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.75
PTGS1 P23219 4/20 0.64
PDPK1 O15530 1/20 0.61
CHRNA7 P36544 3/20 0.60
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA9 Q16790 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL6013937 0.87 PTGS2 (0.80) PTGS2PTGS1PDPK1CHRNA7CA1
SCHEMBL6013905 0.86 PTGS2 (0.78) PTGS2PTGS1PDPK1CHRNA7CA1
SCHEMBL213633 0.86 PTGS2 (1.00) PTGS2PTGS1PDPK1CHRNA7CA1
SCHEMBL27457917 0.86 PTGS2 (0.78) PTGS2PTGS1PDPK1CHRNA7CA1
SCHEMBL6307479 0.83 PTGS2 (0.77) PTGS2PTGS1PDPK1CHRNA7CA1
SCHEMBL6315704 0.83 PTGS2 (1.00) PTGS2PTGS1PDPK1CHRNA7CA1
SCHEMBL24393627 0.82 PTGS2 (0.72) PTGS2PTGS1PDPK1CHRNA7CA1
SCHEMBL6344415 0.81 PTGS2 (0.73) PTGS2PTGS1PDPK1CHRNA7SMN1; SMN2
SCHEMBL6352494 0.81 PTGS2 (0.74) PTGS2PTGS1PDPK1CHRNA7CA1
SCHEMBL6501484 0.81 PTGS2 (0.74) PTGS2PTGS1CHRNA7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038756-A1 COMPOSITIONS INCLUDING BENZENESULFONAMIDE-CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUGS, SILK FIBROIN, AND A GELLING AGENT AND USES THEREOF COCOON BIOTECH INC. 2019-02-07 US disclosed
US-9315483-B2 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2016-04-19 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 (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-20190038756-A1 COMPOSITIONS INCLUDING BENZENESULFONAMIDE-CONTAINING NON-STEROIDAL ANTI-INFLAMMATORY DRUGS, SILK FIBROIN, AND A GELLING AGENT AND USES THEREOF MB, PTGES, PTGS1 PTGS2 12/4885PTGS1 3/4885PDPK1 4020/4885

“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.