SCHEMBL6444697

SCHEMBL6444697

CC(C)[C@H](NC(=O)N1CCOCC1)C(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
IL1RN P18510 1/20 0.49
ERAP2 Q6P179 1/20 0.49
ERAP1 Q9NZ08 1/20 0.49
CAPN1 P07384 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CTSB P07858 2/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7346506 0.88 MEN1 (0.60) CTSSMEN1KMT2AIL1RNERAP2
SCHEMBL7346514 0.88 MEN1 (0.60) CTSSMEN1KMT2AIL1RNERAP2
SCHEMBL27514276 0.82 CCR1 (0.65) CTSSMEN1KMT2ANPSR1CAPN1
SCHEMBL27325266 0.82 POLB (0.61) CTSSMEN1KMT2ANPSR1CTSB
SCHEMBL7266820 0.82 POLB (0.61) CTSSMEN1KMT2ANPSR1CTSB
SCHEMBL7438999 0.82 CTSS (0.55) CTSSMEN1KMT2ANPSR1CAPN1
SCHEMBL6802740 0.79 MEN1 (0.55) CTSSMEN1KMT2ANPSR1CTSB
SCHEMBL7428713 0.78 CTSS (0.51) CTSSMEN1KMT2ANPSR1CAPN1
SCHEMBL7388307 0.78 CTSK (0.51) CTSSCAPN1CTSBCTSKCTSL
SCHEMBL7340839 0.78 MEN1 (0.56) CTSSMEN1KMT2ACTSBCTSK

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-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-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 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 (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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CTSS 82/4885MEN1 2134/4885KMT2A 3442/4885

“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.