SCHEMBL26812951

SCHEMBL26812951

COc1cccc(S(=O)(=O)Nc2nc(Oc3ccccc3)cc(-c3ccccc3)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ GPR39 O43194 1/20 0.42
▸ CYP1A2 P05177 4/20 0.41
▸ CYP2C9 P11712 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ PTGES2 Q9H7Z7 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ATM Q13315 2/20 0.38
▸ VCP P55072 1/20 0.38
▸ PGR P06401 2/20 0.38

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
SCHEMBL29566739 0.85 MAPK1 (0.48) MAPK1TDP1SMN1; SMN2TSHRMAPT
SCHEMBL26812723 0.85 MAPT (0.50) MAPK1TDP1SMN1; SMN2TSHRMAPT
SCHEMBL24310193 0.85 MAPK1 (0.48) MAPK1TDP1SMN1; SMN2TSHRMAPT
SCHEMBL26812838 0.83 MAPK1 (0.46) MAPK1TDP1SMN1; SMN2TSHRMAPT
SCHEMBL24310185 0.83 PGR (0.58) MAPK1TDP1SMN1; SMN2TSHRMAPT
SCHEMBL26813002 0.83 GPR39 (0.53) MAPK1TDP1SMN1; SMN2MAPTGPR39
SCHEMBL26813034 0.82 MAPT (0.57) MAPK1TDP1SMN1; SMN2TSHRMAPT
SCHEMBL24310119 0.81 TSHR (0.58) TDP1SMN1; SMN2TSHRMAPTGPR39
SCHEMBL26812913 0.81 ACLY (0.48) MAPK1TDP1SMN1; SMN2TSHRMAPT
SCHEMBL26806974 0.81 PGR (0.57) MAPK1TDP1SMN1; SMN2TSHRMAPT

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 4534/4885SMN1; SMN2 4847/4885

“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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