SCHEMBL7314829

SCHEMBL7314829

O=CC(CNC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.50
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
TGM2 P21980 1/20 0.48
SYK P43405 1/20 0.46
TP53 P04637 1/20 0.46
GFER P55789 1/20 0.46
OPRK1 P41145 1/20 0.46
CASP1 P29466 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PSMB1 P20618 1/20 0.45

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
SCHEMBL6465218 0.86 LMNA (0.57) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL5594834 0.86 SYK (0.48) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL735711 0.82 HTT (0.56) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL735949 0.82 HTT (0.56) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL735712 0.82 HTT (0.56) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL5019091 0.81 LMNA (0.54) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL10403814 0.81 LMNA (0.54) LMNASMN1; SMN2HTTTGM2SYK
SCHEMBL29951926 0.81 LMNA (0.54) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL13569333 0.81 SMN1; SMN2 (0.62) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL15317909 0.81 SMN1; SMN2 (0.62) LMNASMN1; SMN2HTTCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585628-B Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-03-26 CN disclosed
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-10-06 US disclosed
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP disclosed
CN-114585628-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2022-06-03 CN disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed
EP-0532693-A1 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-24 EP 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-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B LMNA 4099/4885SMN1; SMN2 4797/4885HTT 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.