SCHEMBL2858623

SCHEMBL2858623

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.50
SHMT1 P34896 10/20 0.40
SHMT2 P34897 4/20 0.40
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 3/20 0.35
MAPT P10636 1/20 0.34
EGFR P00533 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL6314323 0.78 KDM4C (0.47) KDM4CSHMT1SHMT2ALDH1A1TSHR
SCHEMBL2081025 0.78 KDM4C (0.52) KDM4CSHMT1SHMT2ALDH1A1SMN1; SMN2
SCHEMBL6314328 0.78 KDM4C (0.47) KDM4CSHMT1SHMT2ALDH1A1TSHR
SCHEMBL484144 0.77 CNR2 (0.36) KDM4CALDH1A1SMN1; SMN2MAPTEGFR
SCHEMBL1057511 0.77 KDM4C (0.34) KDM4CALDH1A1SMN1; SMN2TSHREGFR
SCHEMBL14382979 0.77 KDM4C (0.47) KDM4CSHMT1SHMT2ALDH1A1TSHR
SCHEMBL263784 0.77
SCHEMBL13240549 0.76 KDM4C (0.45) KDM4CSHMT1SHMT2ALDH1A1TSHR
SCHEMBL15680104 0.76 ALDH1A1 (0.52) KDM4CSHMT1SHMT2ALDH1A1TSHR
SCHEMBL7165759 0.76 SMN1; SMN2 (0.46) KDM4CALDH1A1SMN1; SMN2TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129793-A1 Antimicrobial Polyether and Polyol Compounds NOVABAY PHARMACEUTICALS, INC. 2012-05-24 US disclosed
EP-1606321-B1 AZLACTONE PHOTOINIFERTERS FOR RADICAL POLYMERIZATION 3M INNOVATIVE PROPERTIES CO (US) 2010-01-20 EP disclosed
EP-1606321-B1 AZLACTONE PHOTOINIFERTERS FOR RADICAL POLYMERIZATION 3M INNOVATIVE PROPERTIES CO (US) 2010-01-20 EP disclosed
EP-2046726-B1 PREPARATION OF (2R,3R)-3-(3-METHOXYPHENYL)-N,N,2-TRIMETHYLPENTANAMINE JANSSEN PHARMACEUTICA NV (BE) 2010-01-20 EP disclosed
US-7625917-B2 S-o-(phenylaminocarbonyl)phenyl-substituted, especially with a quaternary onium group; enhanced antiviral activity and better reactivity with zinc finger moieties, particularly, the zinc finger on HIV-1's NCp7 nucleocapsid protein TURPIN JAMES A 2009-12-01 US disclosed
CN-100526357-C Ring-opened azlactone chain transfer agents for free radical polymerization 3M INNOVATIVE PROPERTIES CO (US) 2009-08-12 CN disclosed
US-7557177-B2 Ring-opened azlactone initiators for atom transfer radical polymerization 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-07-07 US disclosed
EP-1622952-B1 AZLACTONE CHAIN TRANSFER AGENTS FOR RADICAL POLYMERIZATION 3M INNOVATIVE PROPERTIES CO (US) 2009-01-14 EP disclosed
EP-1569966-B1 RING-OPENED AZLACTONE INITIATORS FOR ATOM TRANSFER RADICAL POLYMERIZATION 3M INNOVATIVE PROPERTIES CO (US) 2008-05-28 EP disclosed
US-20080027210-A1 RING-OPENED AZLACTONE INITIATORS FOR ATOM TRANSFER RADICAL POLYMERIZATION 3M INNOVATIVE PROPERTIES COMPANY 2008-01-31 US disclosed
WO-2004052944-A1 RING-OPENED AZLACTONE INITIATORS FOR ATOM TRANSFER RADICAL POLYMERIZATION 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-06-24 WO disclosed
US-6753391-B1 XANTHATE, THIOXANTHATE, OR DITHIOESTER DERIVATIVES FOR TELECHELIC POLYMERS; ADDITION POLYMERIZATION 3M INNOVATIVE PROPERTIES COMPANY 2004-06-22 US disclosed
US-20040116633-A1 Ring-opened azlactone initiators for atom transfer radical polymerization 3M INNOVATIVE PROPERTIES COMPANY 2004-06-17 US disclosed
US-20040116616-A1 Azlactone initiators for atom transfer radical polymerization 3M INNOVATIVE PROPERTIES COMPANY 2004-06-17 US disclosed
US-6747104-B1 PHOTOINIFERTERS FOR RADICAL POLYMERIZATION PROCESSES AND TELECHELIC POLYMERS MADE THEREBY. 3M INNOVATIVE PROPERTIES COMPANY 2004-06-08 US disclosed
US-6706729-B1 A METHOD FOR DISSOCIATING A METAL ION FROM A ZINC FINGER-CONTAINING PROTEIN; INHIBITING VIRUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-03-16 US disclosed
WO-2003063874-A1 CONDENSED HETEROCYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-07 WO disclosed
EP-1087941-A2 THIOLESTERS AND USES THEREOF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 2001-04-04 EP disclosed
WO-1999065871-A2 THIOLESTERS AND USES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-23 WO disclosed
US-4055663-A Halogenated acylamino acids as fungicides NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-10-25 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-20120129793-A1 Antimicrobial Polyether and Polyol Compounds POLR1C, DPM1, PRF1 KDM4C 4520/4885SHMT1 4706/4885SHMT2 4551/4885

“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.