SCHEMBL26810932

SCHEMBL26810932

O=S(=O)(Nc1nc(Oc2ccccc2)cc(-c2ccc(C(F)(F)F)nc2)n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ PTGS2 P35354 4/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ GPR39 O43194 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ BLM P54132 1/20 0.42
▸ NR3C1 P04150 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ AR P10275 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ SDHB P21912 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL26812852 0.92 MAPT (0.50) MAPTPTGS2PTGS1SMN1; SMN2LMNA
SCHEMBL26810791 0.86 GPR39 (0.45) MAPTPTGS2PTGS1SMN1; SMN2TSHR
SCHEMBL26813018 0.85 MAPT (0.55) MAPTPTGS2PTGS1SMN1; SMN2TSHR
SCHEMBL26810793 0.85 TSHR (0.54) MAPTSMN1; SMN2TSHRLMNAGPR39
SCHEMBL26810836 0.85 PIK3CG (0.54) MAPTSMN1; SMN2TSHRGPR39MEN1
SCHEMBL26806813 0.84 MAPT (0.61) MAPTSMN1; SMN2TSHRLMNAGPR39
SCHEMBL26810931 0.84 TSHR (0.56) MAPTPTGS2SMN1; SMN2TSHRLMNA
SCHEMBL26810938 0.83 MAPT (0.45) MAPTSMN1; SMN2TSHRLMNAGPR39
SCHEMBL26810811 0.82 MAPT (0.57) MAPTSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL26810982 0.82 MAPT (0.50) MAPTSMN1; SMN2TSHRLMNAGPR39

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 MAPT 4864/4885PTGS2 1821/4885PTGS1 1471/4885

“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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