SCHEMBL24325934

SCHEMBL24325934

OCc1nccc2cc(Br)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 2/20 0.51
▸ PDE3B Q13370 2/20 0.42
▸ PDE3A Q14432 2/20 0.42
▸ PLG P00747 1/20 0.41
▸ PLAT P00750 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ TNF P01375 2/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 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
SCHEMBL31207249 1.00 PLAU (0.51) PLAUPDE3BPDE3APLGPLAT
SCHEMBL30881436 0.82 PLAU (0.47) PLAUPDE3BPDE3APLGPLAT
SCHEMBL31206995 0.82 PLAU (0.47) PLAUPDE3BPDE3APLGPLAT
SCHEMBL17303310 0.82 PLAU (0.47) PLAUPDE3BPDE3APLGPLAT
SCHEMBL28243371 0.79 PDE3B (0.42) PLAUPDE3BPDE3APLGPDE10A
SCHEMBL31207063 0.79 PDE3B (0.42) PDE3BPDE3APDE10ACYP1A2CYP2D6
SCHEMBL24338058 0.79 PDE3B (0.42) PDE3BPDE3APDE10ACYP1A2CYP2D6
SCHEMBL14641736 0.76 ROCK1 (0.42) PLAUPDE3BPDE3APDE10ACYP1A2
SCHEMBL31207160 0.76 DYRK1A (0.57) PLAUPDE3BPDE3APDE10ACYP1A2
SCHEMBL582273 0.76 PLAU (0.56) PLAUPLGPLATCYP1A2ALOX15

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 4 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
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
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 4013/4885PDE3B 178/4885PDE3A 246/4885

“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