SCHEMBL6962684

SCHEMBL6962684

O=C(NCC(C(=O)O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.52
CTSS P25774 3/20 0.50
CTSL P07711 2/20 0.50
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
HSD17B10 Q99714 1/20 0.48
CTSK P43235 3/20 0.48
SYK P43405 1/20 0.48
CTSB P07858 1/20 0.48
ATM Q13315 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.47
GFER P55789 1/20 0.47
CASP1 P29466 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL7676950 1.00 LMNA (0.55) LMNASMN1; SMN2HTTCTSSCTSL
SCHEMBL7676954 1.00 LMNA (0.55) LMNASMN1; SMN2HTTCTSSCTSL
SCHEMBL17825637 0.90 LMNA (0.49) LMNASMN1; SMN2HTTCTSSCTSL
SCHEMBL24736141 0.88 LMNA (0.52) LMNASMN1; SMN2HTTCTSSCTSL
SCHEMBL17825663 0.87 CNR2 (0.47) LMNASMN1; SMN2HTTCTSSCTSL
SCHEMBL7310621 0.86 HSD17B10 (0.59) LMNASMN1; SMN2HTTCTSSCTSL
SCHEMBL28088132 0.85 SLC1A3 (0.61) LMNASMN1; SMN2HTTCTSSCTSL
SCHEMBL7448245 0.85 CTSS (0.47) LMNASMN1; SMN2HTTCTSSCTSL
SCHEMBL28491869 0.83 SMN1; SMN2 (0.51) LMNASMN1; SMN2HTTHSD17B10ATM
SCHEMBL13569333 0.83 SMN1; SMN2 (0.62) LMNASMN1; SMN2HTTCTSSCTSL

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
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 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.