SCHEMBL6444094

SCHEMBL6444094

CC(C)(NC(=O)OCc1ccccc1)C([O])=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 2/20 0.50
CTSS P25774 2/20 0.50
SYK P43405 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
AAK1 Q2M2I8 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 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
SCHEMBL503402 0.89 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL10349980 0.89 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL2268248 0.86 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL13543131 0.86 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL22468533 0.86 MEN1 (0.66) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4442846 0.85 KMT2A (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL13545125 0.84 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8427919 0.84 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL20382395 0.83 KMT2A (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL3277964 0.83 MEN1 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP claimed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US claimed
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
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US 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 MEN1 2134/4885KMT2A 3442/4885SMN1; SMN2 1200/4885

“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.