SCHEMBL26806972

SCHEMBL26806972

COc1ccc(Oc2cc(-c3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 3/20 0.55
PGR P06401 3/20 0.51
ACHE P22303 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
CNR1 P21554 1/20 0.50
LMNA P02545 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN5 P54829 1/20 0.47
TRIM24 O15164 1/20 0.47
BRD1 O95696 1/20 0.47
BRPF1 P55201 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
SCHEMBL26813034 0.96 MAPT (0.57) TSHRSMN1; SMN2MAPTPGRACHE
SCHEMBL26806813 0.91 MAPT (0.61) TSHRSMN1; SMN2MAPTPGRALDH1A1
SCHEMBL24310185 0.91 PGR (0.58) TSHRSMN1; SMN2MAPTPGRTDP1
SCHEMBL26806974 0.91 PGR (0.57) TSHRSMN1; SMN2MAPTPGRACHE
SCHEMBL26810912 0.91 SMN1; SMN2 (0.55) TSHRSMN1; SMN2MAPTPGRALDH1A1
SCHEMBL26806984 0.91 MAPT (0.55) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL26806958 0.88 MAPT (0.55) TSHRSMN1; SMN2MAPTPGRALDH1A1
SCHEMBL26806983 0.88 MAPT (0.50) TSHRSMN1; SMN2MAPTPGRACHE
SCHEMBL26806978 0.86 MAPT (0.51) TSHRSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL29567077 0.86 TSHR (0.57) TSHRSMN1; SMN2MAPTALDH1A1LMNA

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 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.