SCHEMBL5799259

SCHEMBL5799259

CCOC(=O)C1=CCCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.44
BRD4 O60885 1/20 0.43
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL5338308 0.89 KMT2A (0.42) BRD4MAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL819891 0.83 TSHR (0.45) MAPTSMN1; SMN2KDM4EHSD17B10ALOX15
SCHEMBL6575838 0.80 HDAC4 (0.41) GSTP1MAPTSMN1; SMN2HSD17B10ALOX15
SCHEMBL340678 0.78 HDAC4 (0.47) MAPTSMN1; SMN2KDM4EALOX15KMT2A
SCHEMBL10933450 0.74 GSTP1 (0.40) GSTP1MAPTSMN1; SMN2TP53
SCHEMBL10552053 0.73 GSTP1 (0.58) GSTP1BRD4MAPTSMN1; SMN2KDM4E
SCHEMBL6049107 0.73 HDAC4 (0.48) MAPTSMN1; SMN2KDM4EHSD17B10ALOX15
SCHEMBL11805519 0.71 HDAC4 (0.47) MAPTSMN1; SMN2KDM4EHSD17B10ALOX15
SCHEMBL6058455 0.71 HDAC4 (0.47) MAPTSMN1; SMN2KDM4EHSD17B10ALOX15
SCHEMBL22975403 0.71 HDAC4 (0.47) MAPTSMN1; SMN2KDM4EHSD17B10ALOX15

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 11 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
US-20100035892-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME THE UNIVERSITY OF CHICAGO 2010-02-11 US disclosed
WO-2006066070-A2 PRODRUG CONSTRUCTS OF PYRIMIDINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed
EP-1040099-A1 AZEPINE OR LARGER MEDIUM RING DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Amgen Inc., (US) 2000-10-04 EP disclosed
US-6107291-A ANTIINFLAMMATORY AGENT AMGEN INC. (US) 2000-08-22 US disclosed
WO-1999032451-A1 AZEPINE OR LARGER MEDIUM RING DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AMGEN INC. (US) 1999-07-01 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 (2 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 GSTP1 1593/4885BRD4 2138/4885MAPT 4857/4885
US-20100035892-A1 METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME ACACA, COASY, ACACB GSTP1 1260/4885BRD4 1374/4885MAPT 3548/4885

“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.