SCHEMBL922696

SCHEMBL922696

CC(=O)CC(=O)NC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
EPHX1 P07099 1/20 0.41
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL12787244 0.87 ALDH1A1 (0.43) ALDH1A1EPHX1POLBSMN1; SMN2GAA
SCHEMBL18026348 0.85 ALDH1A1 (0.47) ALDH1A1EPHX1POLBSMN1; SMN2GAA
SCHEMBL2757931 0.79 ALDH1A1 (0.50) ALDH1A1EPHX1POLBSMN1; SMN2GAA
SCHEMBL29129821 0.79 ALDH1A1 (0.36) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL18860307 0.79 ALDH1A1 (0.44) ALDH1A1EPHX1POLBSMN1; SMN2GAA
SCHEMBL13618809 0.78 MAPT (0.44) ALDH1A1EPHX1POLBSMN1; SMN2GAA
SCHEMBL1687263 0.78
SCHEMBL2412491 0.77 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2GAANPC1
SCHEMBL14902212 0.77 KMT2A (0.35) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL19171550 0.77 SMN1; SMN2 (0.50) ALDH1A1EPHX1POLBSMN1; SMN2GAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-9977024-B2 Targeted covalent probes and inhibitors of proteins containing redox-sensitive cysteines THE SCRIPPS RESEARCH INSTITUTE (US) 2018-05-22 US disclosed
US-20170267698-A1 NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS Clarity Pharmaceuticals Ltd (AU) 2017-09-21 US disclosed
US-20170267699-A1 NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS Clarity Pharmaceuticals Ltd (AU) 2017-09-21 US disclosed
US-9701694-B2 Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2017-07-11 US disclosed
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines THE SCRIPPS RESEARCH INSTITUTE 2016-07-07 US disclosed
CN-103709054-B Preparation method of DL-leucine 广州天科生物科技有限公司 2016-06-29 CN disclosed
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS DERMIRA (CANADA), INC. (US) 2014-04-17 US disclosed
US-8445694-B2 Hydrazonopyrazole derivatives and their use as therapeutics DERMIRA (CANADA), INC. (US) 2013-05-21 US disclosed
US-20110293517-A1 Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2011-12-01 US disclosed
US-7875728-B2 tert-butyl-[5-methyl-4-(phenylhydrazono)-4H-pyrazol-3-yl]amine; 4-(3-fluorophenylhydrazono)-5-methyl-2H-pyrazol-3-ylamine; demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death Valocor Therapeutics, Inc. (CA) 2011-01-25 US disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US disclosed
EP-0472438-B1 Processes for the preparation of y-methacryloxypropylsilane compounds TONEN CORP (JP) 1996-12-18 EP disclosed
EP-0472438-A1 Processes for the preparation of y-methacryloxypropylsilane compounds Tonen Corporation (JP) 1992-02-26 EP disclosed
EP-0266989-B1 DIHYDROPYRIDINE ANTI-ALLERGIC AND ANTI-INFLAMMATORY AGENTS Pfizer Limited (GB) 1990-07-04 EP disclosed
US-4904671-A ANTIARTHRITIC AGENTS; PLATELET ACTIVATING FACTOR PFIZER INC. (US) 1990-02-27 US disclosed
US-4866175-A REACTING BENZOFUROXAN WITH MALONIC ESTER, CYANO(ESTER OR AMIDE), KETO(ESTER OR AMIDE), DIKETONE, MALONONITRILE, OR NITRO COMPOUND RESEARCH CORPORATION (US) 1989-09-12 US disclosed
US-4801598-A Dihydropyridine anti-allergic and anti-inflammatory agents PFIZER INC. (US) 1989-01-31 US disclosed
EP-0266989-A2 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1988-05-11 EP disclosed
US-4343942-A BACTERICIDES RESEARCH CORPORATION (US) 1982-08-10 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 (6 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-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 ALDH1A1 1614/4885EPHX1 3006/4885POLB 1521/4885
US-20170267699-A1 NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS NCL, NUDC, C3AR1 ALDH1A1 2338/4885EPHX1 3846/4885POLB 3039/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC ALDH1A1 3393/4885EPHX1 3859/4885POLB 1409/4885
US-20110293517-A1 Nitrogen-Containing Macrocyclic Conjugates As Radiopharmaceuticals NCL, NUDC, C3AR1 ALDH1A1 2338/4885EPHX1 3846/4885POLB 3039/4885
US-20170267698-A1 NITROGEN-CONTAINING MACROCYCLIC CONJUGATES AS RADIOPHARMACEUTICALS NCL, NUDC, C3AR1 ALDH1A1 2338/4885EPHX1 3846/4885POLB 3039/4885
US-20160195532-A1 Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines PTMS, RSU1, QSOX1 ALDH1A1 3255/4885EPHX1 1871/4885POLB 4277/4885

“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.