SCHEMBL5282755

SCHEMBL5282755

CC(C)c1ccccc1NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 3/20 0.46
NLRP3 Q96P20 1/20 0.46
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA5 P08648 1/20 0.42
SOAT2 O75908 1/20 0.42
SOAT1 P35610 1/20 0.42
PARP1 P09874 1/20 0.42
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL15015553 0.88 ITGB3 (0.41) L3MBTL1KMT2ANLRP3LMNAITGB3
SCHEMBL15015554 0.86 CXCL8 (0.54) L3MBTL1POLBITGB3ITGB1ITGAV
SCHEMBL16858006 0.84 PARP1 (0.43) KMT2APOLBCA1CA2ITGB3
SCHEMBL5692314 0.80 PARP1 (0.51) KMT2AMAPTCA12CA1CA2
SCHEMBL18572578 0.80 ITGB3 (0.39) KMT2ALMNARECQLCA1CA2
SCHEMBL8381719 0.77 KDM4E (0.45) KMT2AMAPTMEN1KDM4E
SCHEMBL4961331 0.77 L3MBTL1 (0.52) L3MBTL1KMT2ANLRP3MAPTLMNA
SCHEMBL9716704 0.76 KDM4E (0.49) L3MBTL1KMT2APOLBITGB3ITGB1
SCHEMBL6064697 0.76 CA12 (0.56) L3MBTL1KMT2ANLRP3MAPTLMNA
SCHEMBL6924576 0.76 PTPRC (0.37) L3MBTL1NLRP3MAPTLMNAITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116940351-A Prodrug compositions and methods of treatment 阿奎斯蒂弗医疗股份有限公司 2023-10-24 CN disclosed
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
US-20070135499-A1 Hydrazide compounds AERIE PHARMACEUTICALS, INC. (US) 2007-06-14 US disclosed
WO-2007008942-A2 PHENYLAMINO-ACETIC ACID [1-(PYRIDIN-4-YL)-METHYLIDENE]-HYDRAZIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF G PROTEIN-COUPLED RECEPTOR KINASES FOR THE TREATMENT OF EYE DISEASES AERIE PHARMACEUTICALS, INC. (US) 2007-01-18 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 (3 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-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR L3MBTL1 9/4885KMT2A 1526/4885NLRP3 4490/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR L3MBTL1 9/4885KMT2A 1526/4885NLRP3 4490/4885
US-20070135499-A1 Hydrazide compounds GRK4, GRK2, GRK1 L3MBTL1 4643/4885KMT2A 3726/4885NLRP3 2501/4885

“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.