SCHEMBL24310288

SCHEMBL24310288

COc1ccccc1Oc1cc(-c2ccccc2)nc(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.55
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
EDNRA P25101 6/20 0.46
HPGD P15428 1/20 0.46
AGTR1 P30556 1/20 0.45
THRB P10828 1/20 0.45
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SLC40A1 Q9NP59 1/20 0.43

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
SCHEMBL29567077 1.00 TSHR (0.57) TSHRSMN1; SMN2MAPTLMNANPSR1
SCHEMBL26807011 0.91 TSHR (0.56) TSHRSMN1; SMN2MAPTLMNANPSR1
SCHEMBL26807013 0.91 TSHR (0.53) TSHRSMN1; SMN2MAPTLMNANPSR1
SCHEMBL26806947 0.88 MAPT (0.55) TSHRSMN1; SMN2MAPTLMNANPSR1
SCHEMBL26806972 0.86 TSHR (0.57) TSHRSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL26806967 0.86 MAPT (0.55) TSHRSMN1; SMN2MAPT
SCHEMBL26807001 0.85 MAPT (0.50) TSHRSMN1; SMN2MAPTLMNAHPGD
SCHEMBL26807005 0.85 MAPT (0.52) TSHRSMN1; SMN2MAPTLMNANPSR1
SCHEMBL26806999 0.84 MAPT (0.54) TSHRSMN1; SMN2MAPTLMNATHRB
SCHEMBL26806974 0.84 PGR (0.57) TSHRSMN1; SMN2MAPTLMNAALDH1A1

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 3 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
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 TSHR 1755/4885SMN1; SMN2 4847/4885MAPT 4864/4885

“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.