SCHEMBL26806980

SCHEMBL26806980

O=S(=O)(Nc1nc(Oc2ccc(N3CCNCC3)cc2)cc(-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 7/20 0.55
▸ LTA4H P09960 1/20 0.47
▸ RIPK2 O43353 1/20 0.47
▸ ACVR1 Q04771 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GUSB P08236 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ KAT6A Q92794 1/20 0.40
▸ HTR1A P08908 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
SCHEMBL26807460 0.89 HTR6 (0.43) HTR6LTA4HRIPK2ACVR1NOD2
SCHEMBL26810928 0.85 PLK4 (0.50) MAPTTSHRLMNA
SCHEMBL26807878 0.84 HTR6 (0.50) HTR6LTA4HRIPK2ACVR1NOD2
SCHEMBL26806813 0.83 MAPT (0.61) MAPTSMN1; SMN2TSHRLMNA
SCHEMBL26819972 0.81 MAPT (0.54) HTR6MAPTTSHRLMNAHTR1A
SCHEMBL26807480 0.81 LTA4H (0.43) HTR6LTA4HRIPK2ACVR1NOD2
SCHEMBL26807780 0.80 LTA4H (0.47) HTR6LTA4HRIPK2ACVR1NOD2
SCHEMBL26806958 0.80 MAPT (0.55) MAPTSMN1; SMN2TSHRLMNA
SCHEMBL26806972 0.80 TSHR (0.57) MAPTSMN1; SMN2TSHRLMNA
SCHEMBL26806984 0.80 MAPT (0.55) MAPTSMN1; SMN2TSHRLMNA

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 HTR6 2653/4885LTA4H 156/4885RIPK2 3698/4885

“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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