SCHEMBL7365655

SCHEMBL7365655

COC(=O)[C@@H](CC(C)C)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
PSMB5 P28074 1/20 0.53
ANPEP P15144 2/20 0.53
BIRC2 Q13490 1/20 0.53
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TAS1R3 Q7RTX0 2/20 0.49
TAS1R1 Q7RTX1 2/20 0.49
CTSK P43235 2/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL19975277 1.00 ATM (0.54) ATMPSMB5ANPEPBIRC2MAPT
SCHEMBL6129757 1.00 ATM (0.54) ATMPSMB5ANPEPBIRC2MAPT
Hydrochloric Acid SCHEMBL28565967 0.98 ATM (0.52) ATMPSMB5ANPEPBIRC2MAPT
Hydrochloric Acid SCHEMBL28565964 0.98 ATM (0.52) ATMPSMB5ANPEPBIRC2MAPT
SCHEMBL3957176 0.93 ALDH1A1 (0.49) ATMPSMB5ANPEPBIRC2CA12
SCHEMBL20012289 0.93 ATM (0.50) ATMPSMB5ANPEPBIRC2MAPT
SCHEMBL3957174 0.93 ALDH1A1 (0.49) ATMPSMB5ANPEPBIRC2CA12
SCHEMBL6158794 0.89 CTSK (0.47) ATMPSMB5ANPEPBIRC2TAS1R3
SCHEMBL6158798 0.89 CTSK (0.47) ATMPSMB5ANPEPBIRC2TAS1R3
SCHEMBL18790812 0.88 CTSK (0.56) PSMB5ANPEPMAPTCTSK

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 9 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
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
EP-0925303-A1 PHOSPHINIC ACID AMIDES AS MATRIX METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-06-30 EP disclosed
WO-1998008853-A9 PHOSPHINIC ACID AMIDES AS MATRIX METALLOPROTEASE INHIBITORS 1998-08-06 WO disclosed
WO-1998008853-A1 PHOSPHINIC ACID AMIDES AS MATRIX METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1998-03-05 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 ATM 1874/4885PSMB5 1754/4885ANPEP 3113/4885

“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.