SCHEMBL26812993

SCHEMBL26812993

COC(=O)CS(=O)(=O)Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ GPR39 O43194 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ LTB4R Q15722 1/20 0.42
▸ ADORA1 P30542 6/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL26813008 0.87 LTB4R (0.48) MAPK1TDP1GPR39MAPTLTB4R
SCHEMBL26812908 0.82 MAPK1 (0.51) MAPK1TDP1GPR39MAPTADORA1
SCHEMBL26812997 0.82 MAPK1 (0.51) MAPK1TDP1GPR39MAPTADORA1
SCHEMBL26812934 0.81 MAPK1 (0.52) MAPK1TDP1GPR39MAPTSMN1; SMN2
SCHEMBL26806813 0.79 MAPT (0.61) MAPK1TDP1GPR39MAPTSMN1; SMN2
SCHEMBL26813034 0.78 MAPT (0.57) MAPK1TDP1MAPTSMN1; SMN2ALDH1A1
SCHEMBL24310185 0.77 PGR (0.58) MAPK1TDP1MAPTSMN1; SMN2
SCHEMBL26812913 0.77 ACLY (0.48) MAPK1TDP1GPR39MAPTSMN1; SMN2
SCHEMBL26812990 0.77 TDP1 (0.54) MAPK1TDP1GPR39MAPTADORA1
SCHEMBL26812998 0.77 TDP1 (0.54) MAPK1TDP1GPR39MAPTADORA1

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MAPK1 3810/4885TDP1 4534/4885GPR39 454/4885

“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.

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