SCHEMBL24310759

SCHEMBL24310759

Cc1ccccc1Oc1nc(NS(=O)(=O)c2cnn(C)c2)nc(-c2c(C)cccc2C)c1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 12/20 0.39
▸ HTR7 P34969 12/20 0.39
▸ DRD2 P14416 5/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ THRB P10828 1/20 0.33
▸ HTR2A P28223 4/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ PCK1 P35558 1/20 0.32
▸ SLC8A1 P32418 1/20 0.32
▸ CCNT1 O60563 2/20 0.31
▸ CCNB2 O95067 2/20 0.31
▸ CCNE2 O96020 2/20 0.31
▸ CDK1 P06493 2/20 0.31
▸ CCNB1 P14635 2/20 0.31
▸ CCNE1 P24864 2/20 0.31
▸ CDK2 P24941 2/20 0.31

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
SCHEMBL29567792 1.00 HTR1A (0.39) HTR1AHTR7DRD2HTR6THRB
SCHEMBL24309426 0.91 HTR1A (0.42) HTR1AHTR7DRD2HTR6THRB
SCHEMBL29567055 0.87 HTR1A (0.40) HTR1AHTR7DRD2HTR6THRB
SCHEMBL24309427 0.87 HTR1A (0.40) HTR1AHTR7DRD2HTR6THRB
SCHEMBL29566521 0.85 HTR1A (0.38) HTR1AHTR7DRD2HTR6THRB
SCHEMBL29566770 0.85 BRD4 (0.36) HTR1AHTR7DRD2HTR6SLC8A1
SCHEMBL24309993 0.85 BRD4 (0.36) HTR1AHTR7DRD2HTR6SLC8A1
SCHEMBL24310452 0.85 HTR1A (0.38) HTR1AHTR7DRD2HTR6THRB
SCHEMBL26811975 0.84 HTR1A (0.35) HTR1AHTR7DRD2HTR6THRB
SCHEMBL24309827 0.81 HTR1A (0.43) HTR1AHTR7DRD2HTR6THRB

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 HTR1A 4018/4885HTR7 3833/4885DRD2 4505/4885

“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.

Send feedback