SCHEMBL26811103

SCHEMBL26811103

COc1cc(C)c(-c2cc(Oc3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ PGR P06401 4/20 0.47
▸ FFAR4 Q5NUL3 2/20 0.45
▸ SLC40A1 Q9NP59 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GPR39 O43194 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL24309985 0.91 TSHR (0.56) TSHRSMN1; SMN2PGRFFAR4GAA
SCHEMBL29567420 0.90 SMN1; SMN2 (0.57) TSHRSMN1; SMN2PGRFFAR4GAA
SCHEMBL24310003 0.90 SMN1; SMN2 (0.57) TSHRSMN1; SMN2PGRFFAR4GAA
SCHEMBL26811044 0.87 TSHR (0.56) TSHRSMN1; SMN2PGRFFAR4SLC40A1
SCHEMBL26807086 0.85 TSHR (0.49) TSHRSMN1; SMN2PGRFFAR4GAA
SCHEMBL26811048 0.84 SMN1; SMN2 (0.55) TSHRSMN1; SMN2PGRSLC40A1GAA
SCHEMBL26810912 0.83 SMN1; SMN2 (0.55) TSHRSMN1; SMN2PGRALDH1A1TDP1
SCHEMBL26810957 0.83 TSHR (0.54) TSHRSMN1; SMN2PGRFFAR4GAA
SCHEMBL26806972 0.83 TSHR (0.57) TSHRSMN1; SMN2PGRALDH1A1LMNA
SCHEMBL26810888 0.83 TSHR (0.55) TSHRSMN1; SMN2PGRSLC40A1LMNA

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 4847/4885PGR 4116/4885

“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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