SCHEMBL26806771

SCHEMBL26806771

CC(C)c1ccccc1-c1cc(Oc2cccc(Cl)c2)nc(NS(=O)(=O)c2cccc(N)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.41
▸ KDM1A O60341 4/20 0.39
▸ MAOA P21397 2/20 0.39
▸ FSCN1 Q16658 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTR1A P08908 3/20 0.37
▸ HTR7 P34969 3/20 0.37
▸ CCR2 P41597 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PIK3C2B O00750 1/20 0.36
▸ PIK3C2G O75747 1/20 0.36

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
SCHEMBL26806758 0.92 MEN1 (0.39) PGRKDM1AMAOAFSCN1GPR119
SCHEMBL26806726 0.92 POLB (0.43) PGRPOLBHTR6MAPTPIK3C2B
SCHEMBL26806725 0.91 PGR (0.43) PGRPOLBPIK3C2BPIK3C2G
SCHEMBL24310444 0.90 NAT1 (0.38) POLBMAPTPIK3C2BPIK3C2G
SCHEMBL29566843 0.90 NAT1 (0.38) POLBMAPTPIK3C2BPIK3C2G
SCHEMBL26806723 0.90 PGR (0.39) PGRPOLBHTR1AHTR7DRD2
SCHEMBL29567277 0.88 PGR (0.42) PGRKDM1AMAOAFSCN1GPR119
SCHEMBL26807133 0.88 PGR (0.42) PGRKDM1AMAOAFSCN1GPR119
SCHEMBL26806627 0.88 CHEK1 (0.36) GPR119POLBHTR6MAPTPIK3C2B
SCHEMBL26806752 0.88 NPY5R (0.39) PGRPOLBMAPTPIK3C2BPIK3C2G

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 PGR 4116/4885KDM1A 4709/4885MAOA 4480/4885

“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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