SCHEMBL6447440

SCHEMBL6447440

CC(C)C(NC(=O)CCCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
FOLH1 Q04609 5/20 0.55
TGM2 P21980 1/20 0.52
CAPN1 P07384 1/20 0.52
CAPN2 P17655 1/20 0.52
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ECE1 P42892 2/20 0.48
MME P08473 1/20 0.48

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
SCHEMBL6447441 1.00 HTT (0.57) HTTFOLH1TGM2CAPN1CAPN2
SCHEMBL6443882 0.99 HTT (0.56) HTTFOLH1TGM2CAPN1CAPN2
SCHEMBL6443877 0.99 HTT (0.56) HTTFOLH1TGM2CAPN1CAPN2
SCHEMBL7268430 0.95 HTT (0.52) HTTFOLH1TGM2CAPN1CAPN2
SCHEMBL25335762 0.88 HTT (0.49) HTTFOLH1TGM2CPB1CPB2
SCHEMBL25335759 0.88 HTT (0.49) HTTFOLH1TGM2CPB1CPB2
SCHEMBL7270150 0.87 HTT (0.51) HTTFOLH1TGM2CAPN1CAPN2
SCHEMBL4582904 0.84 MAPK1 (0.53) LMNASMN1; SMN2ECE1MME
SCHEMBL4582911 0.84 MAPK1 (0.53) LMNASMN1; SMN2ECE1MME
SCHEMBL919245 0.84 MAPK1 (0.53) LMNASMN1; SMN2ECE1MME

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 6 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-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 HTT 55/4885FOLH1 409/4885TGM2 757/4885

“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.