SCHEMBL26811013

SCHEMBL26811013

CC(C)(C)C1CC=C(c2cc(Oc3ccccc3)nc(NS(=O)(=O)c3ccccc3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GPR39 O43194 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ PGR P06401 4/20 0.36
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ NAT1 P18440 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TRPV1 Q8NER1 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL26810995 0.91 TSHR (0.40) SMN1; SMN2TSHRGPR39MAPTCYP1A2
SCHEMBL26811014 0.87 SMN1; SMN2 (0.44) SMN1; SMN2TSHRGPR39MAPTCYP1A2
SCHEMBL26807495 0.83 HTR1A (0.38) SMN1; SMN2TSHRGPR39TRPV1
SCHEMBL26811002 0.79 TSHR (0.46) SMN1; SMN2TSHRMAPTCYP1A2CYP2C9
SCHEMBL26811043 0.79 TSHR (0.45) SMN1; SMN2TSHRGPR39MAPTCYP1A2
SCHEMBL26810818 0.78 PIK3CD (0.50) SMN1; SMN2TSHRGPR39MAPTCYP1A2
SCHEMBL24309909 0.78 TSHR (0.44) SMN1; SMN2TSHRGPR39MAPTCYP1A2
SCHEMBL29566655 0.78 TSHR (0.44) SMN1; SMN2TSHRGPR39MAPTCYP1A2
SCHEMBL26806813 0.74 MAPT (0.61) SMN1; SMN2TSHRGPR39MAPTCYP1A2
SCHEMBL24310443 0.74 SMN1; SMN2 (0.61) SMN1; SMN2TSHRMAPTCYP1A2CYP2C9

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 SMN1; SMN2 4847/4885TSHR 1755/4885GPR39 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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