SCHEMBL26812913

SCHEMBL26812913

COc1ccccc1S(=O)(=O)Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PTPN2 P17706 3/20 0.47
▸ PTPN1 P18031 3/20 0.47
▸ PTPN5 P54829 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.43
▸ GPR39 O43194 1/20 0.43
▸ HSPD1 P10809 1/20 0.43
▸ HSPE1 P61604 1/20 0.43
▸ AGTR1 P30556 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
SCHEMBL26812955 0.85 GPR39 (0.47) ACLYMAPK1TDP1MAPTTSHR
SCHEMBL24309652 0.84 TDP1 (0.50) ACLYMAPK1TDP1PTPN2PTPN1
SCHEMBL29567152 0.84 TDP1 (0.50) ACLYMAPK1TDP1PTPN2PTPN1
SCHEMBL24310225 0.84 MAPT (0.52) MAPK1TDP1PTPN2PTPN1PTPN5
SCHEMBL26813034 0.83 MAPT (0.57) MAPK1TDP1PTPN2PTPN1PTPN5
SCHEMBL24310185 0.82 PGR (0.58) MAPK1TDP1PTPN2PTPN1PTPN5
SCHEMBL26806813 0.82 MAPT (0.61) MAPK1TDP1LMNAKMT2AMEN1
SCHEMBL24310288 0.81 TSHR (0.57) LMNAMAPTTSHRSMN1; SMN2NPSR1
SCHEMBL29567077 0.81 TSHR (0.57) LMNAMAPTTSHRSMN1; SMN2NPSR1
SCHEMBL26806972 0.81 TSHR (0.57) MAPK1TDP1PTPN2PTPN1PTPN5

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 ACLY 1453/4885MAPK1 3810/4885TDP1 4534/4885

“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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