SCHEMBL24325939

SCHEMBL24325939

COC(=O)c1nccc2cc(Br)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
APAF1 O14727 2/20 0.45
NSD2 O96028 2/20 0.45
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
TDP2 O95551 1/20 0.45
PPP1CA P62136 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ELANE P08246 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NCEH1 Q6PIU2 2/20 0.43
NR4A2 P43354 1/20 0.41
TNF P01375 1/20 0.41
RXFP1 Q9HBX9 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL29571062 1.00 PLAU (0.46) PLAUAPAF1NSD2CASP3SENP8
SCHEMBL2002683 0.84 ALDH1A1 (0.49) PLAUELANEHTTRXFP1GAA
SCHEMBL23535787 0.83 LCK (0.55) APAF1NSD2CASP3SENP8SENP7
SCHEMBL19794695 0.83 PLAU (0.49) PLAUAPAF1NSD2CASP3SENP8
SCHEMBL28784070 0.82 PLAU (0.51) PLAUAPAF1NSD2CASP3SENP8
SCHEMBL29571020 0.81 PLAU (0.50) PLAUAPAF1NSD2CASP3SENP8
SCHEMBL24326752 0.81 PLAU (0.50) PLAUAPAF1NSD2CASP3SENP8
SCHEMBL27243903 0.80 NCEH1 (0.42) PLAUAPAF1NSD2CASP3SENP8
SCHEMBL30881507 0.80 NCEH1 (0.42) PLAUAPAF1NSD2CASP3SENP8
SCHEMBL31266811 0.78 L3MBTL1 (0.44) L3MBTL1ELANETSHRHTTNCEH1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
CN-116670143-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076625-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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B PLAU 4013/4885APAF1 3133/4885NSD2 4308/4885

“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.