SCHEMBL24310012

SCHEMBL24310012

CC(C)Oc1ccccc1-c1cc(Oc2ccccc2)nc(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NAT1 P18440 3/20 0.44
▸ GPR39 O43194 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ PGR P06401 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KAT6A Q92794 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CCNT1 O60563 2/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ THRB P10828 1/20 0.37

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
SCHEMBL29566878 1.00 TSHR (0.46) TSHRSMN1; SMN2NAT1GPR39MAPT
SCHEMBL26810948 0.88 TSHR (0.55) TSHRSMN1; SMN2NAT1GPR39PGR
SCHEMBL26811066 0.86 GPR39 (0.45) TSHRSMN1; SMN2NAT1GPR39MAPT
SCHEMBL24309472 0.85 SMN1; SMN2 (0.48) TSHRSMN1; SMN2NAT1GPR39MAPT
SCHEMBL26810832 0.83 TSHR (0.50) TSHRSMN1; SMN2MAPTPGRGAA
SCHEMBL26810957 0.83 TSHR (0.54) TSHRSMN1; SMN2NAT1GPR39MAPT
SCHEMBL26811119 0.82 SCN9A (0.44) TSHRSMN1; SMN2NAT1GPR39MAPT
SCHEMBL26811084 0.82 MAPT (0.50) TSHRSMN1; SMN2NAT1GPR39MAPT
SCHEMBL26810953 0.81 TSHR (0.48) TSHRSMN1; SMN2NAT1GPR39MAPT
SCHEMBL26810785 0.81 TSHR (0.48) TSHRSMN1; SMN2NAT1GPR39MAPT

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 TSHR 1755/4885SMN1; SMN2 4847/4885NAT1 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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