SCHEMBL26813008

SCHEMBL26813008

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 2/20 0.48
▸ S1PR4 O95977 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ S1PR1 P21453 2/20 0.48
▸ STAT3 P40763 2/20 0.48
▸ STAT1 P42224 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ MITF O75030 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAPK1 P28482 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ADORA1 P30542 6/20 0.41
▸ GPR39 O43194 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39

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
SCHEMBL26812993 0.87 MAPK1 (0.48) LTB4RS1PR4LMNAHPGDS1PR1
SCHEMBL26812997 0.83 MAPK1 (0.51) S1PR4LMNAHPGDS1PR1STAT3
SCHEMBL26812909 0.82 TDP1 (0.47) LTB4RLMNAHPGDSMN1; SMN2NPSR1
SCHEMBL26812908 0.79 MAPK1 (0.51) HPGDSMN1; SMN2NPSR1MAPK1TDP1
SCHEMBL26812934 0.78 MAPK1 (0.52) LMNAHPGDSMN1; SMN2NPSR1HTT
SCHEMBL26806813 0.76 MAPT (0.61) LMNAHPGDSMN1; SMN2NPSR1HTT
SCHEMBL26813034 0.75 MAPT (0.57) SMN1; SMN2MAPK1TDP1MAPTALDH1A1
SCHEMBL24310185 0.74 PGR (0.58) SMN1; SMN2MAPK1TDP1MAPT
SCHEMBL26812990 0.74 TDP1 (0.54) HPGDSMN1; SMN2NPSR1MAPK1TDP1
SCHEMBL26812998 0.74 TDP1 (0.54) LMNAHPGDSMN1; SMN2NPSR1MAPK1

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 LTB4R 180/4885S1PR4 1605/4885LMNA 4052/4885

“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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