SCHEMBL24310443

SCHEMBL24310443

O=S(=O)(Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
TSHR P16473 2/20 0.61
PGR P06401 6/20 0.57
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
NAT1 P18440 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL26810902 0.92 TSHR (0.53) SMN1; SMN2TSHRPGRCYP1A2CYP2C9
SCHEMBL29566488 0.91 TSHR (0.56) SMN1; SMN2TSHRPGRCYP1A2CYP2C9
SCHEMBL24309299 0.91 TSHR (0.56) SMN1; SMN2TSHRPGRCYP1A2CYP2C9
SCHEMBL26806813 0.89 MAPT (0.61) SMN1; SMN2TSHRPGRCYP1A2CYP2C9
SCHEMBL24309617 0.87 TSHR (0.55) SMN1; SMN2TSHRPGRCYP1A2CYP2C9
SCHEMBL26811032 0.85 TSHR (0.50) SMN1; SMN2TSHRPGRCYP1A2CYP2C9
SCHEMBL24309992 0.84 TSHR (0.52) SMN1; SMN2TSHRPGRCYP1A2CYP2C9
SCHEMBL29566926 0.84 TSHR (0.52) SMN1; SMN2TSHRPGRCYP1A2CYP2C9
SCHEMBL24309977 0.84 TSHR (0.52) SMN1; SMN2TSHRPGRCYP1A2CYP2C9
SCHEMBL26811029 0.84 TSHR (0.52) SMN1; SMN2TSHRPGRCYP1A2CYP2C9

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 6 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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO 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 SMN1; SMN2 4847/4885TSHR 1755/4885PGR 4116/4885

“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.