SCHEMBL6447837

SCHEMBL6447837

CC(C)[C@H](NC(=O)CCCN)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
PLA2G2A P14555 1/20 0.47
PLA2G5 P39877 1/20 0.47
SDCBP O00560 3/20 0.47
SDC2 P34741 3/20 0.47
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 2/20 0.41
GABRR3 A8MPY1 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
HDAC3 O15379 1/20 0.41
GABBR2 O75899 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
GABRA1 P14867 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
SCHEMBL6447833 1.00 EPHX2 (0.50) EPHX2PLA2G2APLA2G5SDCBPSDC2
SCHEMBL15870650 0.93 PLA2G2A (0.53) EPHX2PLA2G2APLA2G5SDCBPSDC2
SCHEMBL4654530 0.90 FNTA (0.48) EPHX2PLA2G2APLA2G5SDCBPSDC2
SCHEMBL6445198 0.90 FNTA (0.48) EPHX2PLA2G2APLA2G5SDCBPSDC2
SCHEMBL15623788 0.90 PLA2G2A (0.56) EPHX2PLA2G2APLA2G5SDCBPSDC2
SCHEMBL24227215 0.85 PLA2G2A (0.53) EPHX2PLA2G2APLA2G5SDCBPSDC2
SCHEMBL6444706 0.85 PLA2G2A (0.51) EPHX2PLA2G2APLA2G5SDCBPSDC2
SCHEMBL813958 0.85 PLA2G2A (0.60) EPHX2PLA2G2APLA2G5SDCBPSDC2
SCHEMBL6444700 0.85 PLA2G2A (0.51) EPHX2PLA2G2APLA2G5SDCBPSDC2
SCHEMBL29969985 0.85 PLA2G2A (0.60) EPHX2PLA2G2APLA2G5SDCBPSDC2

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
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF TUFTS COLLEGE 2024-06-27 US disclosed
US-20230330275-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2023-10-19 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 (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-20230330275-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO FAP, APC, FIBP EPHX2 1752/4885PLA2G2A 385/4885PLA2G5 1004/4885
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 EPHX2 1638/4885PLA2G2A 2270/4885PLA2G5 1274/4885
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS BCL6B, BCL6, BTD EPHX2 1812/4885PLA2G2A 4593/4885PLA2G5 4582/4885

“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.