SCHEMBL26806772

SCHEMBL26806772

Cc1cc(C#N)cc(C)c1Oc1cc(-c2ccccc2C(C)C)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PGR P06401 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PIK3C2B O00750 1/20 0.34
▸ PIK3C2G O75747 1/20 0.34
▸ SCN9A Q15858 5/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ ABCC3 O15438 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ DRD1 P21728 1/20 0.33

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
SCHEMBL26806728 0.88 PGR (0.42) TSHRSMN1; SMN2POLBPGRMAPT
SCHEMBL24309272 0.85 SMN1; SMN2 (0.36) TSHRSMN1; SMN2POLBMAPTPIK3C2B
SCHEMBL26806731 0.85 SCN9A (0.41) SCN9A
SCHEMBL29567003 0.85 SMN1; SMN2 (0.36) TSHRSMN1; SMN2POLBMAPTPIK3C2B
SCHEMBL26806726 0.83 POLB (0.43) TSHRSMN1; SMN2POLBPGRMAPT
SCHEMBL26806752 0.83 NPY5R (0.39) TSHRSMN1; SMN2POLBPGRMAPT
SCHEMBL26806725 0.83 PGR (0.43) TSHRSMN1; SMN2POLBPGRPIK3C2B
SCHEMBL26806783 0.82 POLB (0.41) TSHRSMN1; SMN2POLBMAPTPIK3C2B
SCHEMBL26806784 0.82 POLB (0.41) TSHRSMN1; SMN2POLBMAPTPIK3C2B
SCHEMBL29566843 0.82 NAT1 (0.38) TSHRSMN1; SMN2POLBMAPTPIK3C2B

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 4847/4885POLB 3593/4885

“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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