SCHEMBL26864883

SCHEMBL26864883

CC1(C)C=C(c2cc(Oc3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)CC(C)(C)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GPR39 O43194 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ PGR P06401 4/20 0.37
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL26811018 0.83 TSHR (0.44) TSHRSMN1; SMN2GPR39MAPTPGR
SCHEMBL24309909 0.77 TSHR (0.44) TSHRSMN1; SMN2GPR39MAPTPGR
SCHEMBL29566655 0.77 TSHR (0.44) TSHRSMN1; SMN2GPR39MAPTPGR
SCHEMBL26806813 0.76 MAPT (0.61) TSHRSMN1; SMN2GPR39MAPTPGR
SCHEMBL24310443 0.75 SMN1; SMN2 (0.61) TSHRSMN1; SMN2MAPTPGRGAA
SCHEMBL29566827 0.74 TSHR (0.43) TSHRSMN1; SMN2GPR39MAPTPGR
SCHEMBL24310004 0.74 TSHR (0.43) TSHRSMN1; SMN2GPR39MAPTPGR
SCHEMBL26811043 0.74 TSHR (0.45) TSHRSMN1; SMN2GPR39MAPTPGR
SCHEMBL26810818 0.73 PIK3CD (0.50) TSHRSMN1; SMN2GPR39MAPTPGR
SCHEMBL26810788 0.73 SMN1; SMN2 (0.48) TSHRSMN1; SMN2GPR39MAPTPGR

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 1 patent. 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

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 4847/4885GPR39 454/4885

“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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