SCHEMBL4560664

SCHEMBL4560664

CCOC(=O)[C@@H](CO)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 4/20 0.55
CD274 Q9NZQ7 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
MMP8 P22894 2/20 0.49
PPID Q08752 1/20 0.49
EPHX2 P34913 1/20 0.47
PPARG P37231 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PIN1 Q13526 1/20 0.44
NAMPT P43490 1/20 0.44
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL30354719 1.00 PDCD1 (0.55) PDCD1CD274SMN1; SMN2MMP8PPID
Hydrochloric Acid SCHEMBL29935507 0.98 PDCD1 (0.54) PDCD1CD274SMN1; SMN2MMP8PPID
SCHEMBL13915549 0.88 MMP8 (0.56) SMN1; SMN2MMP8PPIDEPHX2PPARG
SCHEMBL1931193 0.88 MMP8 (0.56) SMN1; SMN2MMP8PPIDEPHX2PPARG
SCHEMBL14636601 0.87 ATM (0.56) PDCD1CD274MAPTMEN1KMT2A
SCHEMBL304265 0.87 ATM (0.56) PDCD1CD274MAPTMEN1KMT2A
SCHEMBL5878196 0.87 ATM (0.56) PDCD1CD274MAPTMEN1KMT2A
SCHEMBL1781525 0.86 SMN1; SMN2 (0.49) PDCD1CD274SMN1; SMN2MMP8PPID
SCHEMBL14265369 0.86 SMN1; SMN2 (0.55) SMN1; SMN2MMP8PPIDEPHX2PPARG
SCHEMBL30988969 0.86 SMN1; SMN2 (0.49) PDCD1CD274SMN1; SMN2MMP8PPID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461668-B Novel biphenyl derivative, preparation method and medical application thereof 西安新通药物研究股份有限公司 2022-12-09 CN claimed
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid ORAPHARMA, INC. 2005-11-24 US claimed
CN-117561246-A Novel biphenyl derivative, preparation method and medical application thereof 西安新通药物研究股份有限公司 2024-02-13 CN disclosed
CN-111909108-B Biphenyl compound and preparation method and medical application thereof 中国药科大学 2023-05-02 CN disclosed
CN-113773273-B Benzisothiazole compound, preparation method and application thereof 沈阳药科大学 2023-04-11 CN disclosed
CN-113461668-B Novel biphenyl derivative, preparation method and medical application thereof 西安新通药物研究股份有限公司 2022-12-09 CN disclosed
US-7488755-B2 Derivatives of glycinergic R(+)-2-amino-3-hydroxypropanoic acid PRESTWICK PHARMACEUTICALS, INC. (US) 2009-02-10 US disclosed
US-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid ORAPHARMA, INC. 2005-11-24 US 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-20050261372-A1 Derivatives of glycinergic r(+)-2-amino-3-hydroxypropanoic acid GLRA3, GLRA1, GLRA2 PDCD1 4863/4885CD274 4870/4885SMN1; SMN2 825/4885

“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.