SCHEMBL24310495

SCHEMBL24310495

CC1(C)CCCC=C1c1cc(Oc2ccccc2)nc(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GPR39 O43194 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ PGR P06401 4/20 0.38
▸ GAA P10253 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 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
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HTT P42858 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
SCHEMBL29566660 1.00 TSHR (0.44) TSHRSMN1; SMN2GPR39ALDH1A1MAPT
SCHEMBL26811043 0.81 TSHR (0.45) TSHRSMN1; SMN2GPR39ALDH1A1MAPT
SCHEMBL24310501 0.81 GPR39 (0.39) GPR39MAPTHPGDCYP1A2CYP2C9
SCHEMBL24309909 0.78 TSHR (0.44) TSHRSMN1; SMN2GPR39ALDH1A1MAPT
SCHEMBL29566655 0.78 TSHR (0.44) TSHRSMN1; SMN2GPR39ALDH1A1MAPT
SCHEMBL26811041 0.78 TSHR (0.43) TSHRSMN1; SMN2GPR39ALDH1A1MAPT
SCHEMBL26806813 0.77 MAPT (0.61) TSHRSMN1; SMN2GPR39ALDH1A1MAPT
SCHEMBL24310443 0.76 SMN1; SMN2 (0.61) TSHRSMN1; SMN2ALDH1A1MAPTPGR
SCHEMBL29566827 0.75 TSHR (0.43) TSHRSMN1; SMN2GPR39ALDH1A1MAPT
SCHEMBL24310004 0.75 TSHR (0.43) TSHRSMN1; SMN2GPR39ALDH1A1MAPT

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 4847/4885GPR39 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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