SCHEMBL24309472

SCHEMBL24309472

CC(C)c1ccccc1-c1cc(Oc2ccccc2)nc(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ NAT1 P18440 3/20 0.45
▸ GPR39 O43194 1/20 0.42
▸ PGR P06401 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SLC40A1 Q9NP59 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL26806726 0.91 POLB (0.43) SMN1; SMN2TSHRNAT1GPR39PGR
SCHEMBL26810671 0.89 SMN1; SMN2 (0.51) SMN1; SMN2TSHRNAT1GPR39PGR
SCHEMBL29567160 0.89 SMN1; SMN2 (0.51) SMN1; SMN2TSHRNAT1GPR39PGR
SCHEMBL29567073 0.87 HTR1A (0.43) SMN1; SMN2TSHRNAT1GPR39PGR
SCHEMBL24309659 0.87 HTR1A (0.43) SMN1; SMN2TSHRNAT1GPR39PGR
SCHEMBL29567008 0.86 TDP1 (0.45) SMN1; SMN2TSHRMAPTSLC40A1GAA
SCHEMBL24309354 0.86 TDP1 (0.45) SMN1; SMN2TSHRMAPTSLC40A1GAA
SCHEMBL26810957 0.85 TSHR (0.54) SMN1; SMN2TSHRNAT1GPR39PGR
SCHEMBL24310012 0.85 TSHR (0.46) SMN1; SMN2TSHRNAT1GPR39PGR
SCHEMBL29566878 0.85 TSHR (0.46) SMN1; SMN2TSHRNAT1GPR39PGR

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 SMN1; SMN2 4847/4885TSHR 1755/4885NAT1 1058/4885

“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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