SCHEMBL5711205

SCHEMBL5711205

CC(C)[C@H](NC(=O)N1CCN(C)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4C Q9H3R0 1/20 0.43
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EPHX2 P34913 2/20 0.39
POLB P06746 2/20 0.38
HTR1A P08908 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6447920 1.00 KDM4E (0.43) KDM4EALDH1A1KDM4CCYP1A2TDP1
SCHEMBL7270034 0.98 KDM4E (0.42) KDM4EALDH1A1KDM4CCYP1A2TDP1
Lithium SCHEMBL7270041 0.98 KDM4E (0.42) KDM4EALDH1A1KDM4CCYP1A2TDP1
SCHEMBL7339055 0.84 SMN1; SMN2 (0.45) ALDH1A1CYP1A2CYP2C19SMN1; SMN2PKM
SCHEMBL7339063 0.84 SMN1; SMN2 (0.45) ALDH1A1CYP1A2CYP2C19SMN1; SMN2PKM
SCHEMBL7308065 0.83 MEN1 (0.52) KDM4EALDH1A1KDM4CCYP1A2TDP1
SCHEMBL7279963 0.83 MEN1 (0.52) KDM4EALDH1A1KDM4CCYP1A2TDP1
SCHEMBL6447284 0.83 RAB9A (0.49) ALDH1A1CYP1A2SMN1; SMN2PKMMEN1
SCHEMBL6447936 0.83 RAB9A (0.49) ALDH1A1CYP1A2SMN1; SMN2PKMMEN1
Lithium Ion SCHEMBL7270031 0.83 CYP1A2 (0.38) KDM4EALDH1A1KDM4CCYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103560-B1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO LTD (JP) 2006-12-27 EP 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-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed
EP-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 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 KDM4E 3396/4885ALDH1A1 889/4885KDM4C 2984/4885

“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.