SCHEMBL6444115

SCHEMBL6444115

CC(C)[C@H](NC(=O)Cc1cccnc1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
GPR132 Q9UNW8 2/20 0.45
KLK5 Q9Y337 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
EPHX2 P34913 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
RORC P51449 2/20 0.43
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
ECE1 P42892 1/20 0.42
ADAMTS4 O75173 1/20 0.41
ACACB O00763 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 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
SCHEMBL6443067 0.82 GPR132 (0.58) CYP3A4CYP1A2CYP2C9GPR132ALDH1A1
Hydrochloric Acid SCHEMBL6445549 0.81 GPR132 (0.57) CYP3A4CYP1A2CYP2C9GPR132ALDH1A1
SCHEMBL11827663 0.80 GPR132 (0.47) CYP3A4GPR132KLK5ALDH1A1LMNA
SCHEMBL11827655 0.80 GPR132 (0.47) CYP3A4GPR132KLK5ALDH1A1LMNA
SCHEMBL14660685 0.79 ADAM17 (0.49) CYP3A4CYP1A2GPR132ALDH1A1LMNA
SCHEMBL24011470 0.78 CYP1A2 (0.64) CYP3A4CYP1A2CYP2C9LMNAEPHX2
SCHEMBL15219626 0.76 CYP1A2 (0.58) CYP3A4CYP1A2CYP2C9ALDH1A1LMNA
SCHEMBL26414586 0.76 CYP3A4 (0.58) CYP3A4CYP1A2CYP2C9EPHX2NAPRT
SCHEMBL23973836 0.76 CYP3A4 (0.58) CYP3A4CYP1A2CYP2C9ALDH1A1LMNA
SCHEMBL12330584 0.76 CYP1A2 (0.58) CYP3A4CYP1A2CYP2C9ALDH1A1LMNA

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 CYP3A4 2875/4885CYP1A2 1864/4885CYP2C9 1231/4885

“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.