SCHEMBL989835

SCHEMBL989835

CCNC(Cc1ccccc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
EPHX1 P07099 1/20 0.50
FCER2 P06734 2/20 0.48
MMP1 P03956 2/20 0.48
POLB P06746 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
HPGDS O60760 2/20 0.47
ATM Q13315 1/20 0.47
ACE P12821 1/20 0.46
MMP3 P08254 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ELANE P08246 1/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 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
SCHEMBL30699914 1.00 SIGMAR1 (0.53) SIGMAR1EPHX1FCER2MMP1POLB
SCHEMBL4672507 1.00 SIGMAR1 (0.53) SIGMAR1EPHX1FCER2MMP1POLB
SCHEMBL14027140 0.88 SIGMAR1 (0.55) SIGMAR1POLBATMACENPC1
SCHEMBL990139 0.87 SIGMAR1 (0.56) SIGMAR1EPHX1FCER2MMP1POLB
SCHEMBL10748039 0.87 SIGMAR1 (0.56) SIGMAR1EPHX1FCER2MMP1POLB
SCHEMBL7271174 0.86 SIGMAR1 (0.56) SIGMAR1ACENAALAD2
SCHEMBL839840 0.86 SIGMAR1 (0.56) SIGMAR1ACENAALAD2
SCHEMBL1958454 0.86 SIGMAR1 (0.56) SIGMAR1ACENAALAD2
SCHEMBL13910050 0.85 ACE (0.52) CA12CA1CA9ACESLC7A5
SCHEMBL12118797 0.85 ATM (0.44) EPHX1ATMACENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSTY 2023-01-26 US disclosed
EP-3569252-B1 ANTISENSE ANTIBACTERIAL COMPOUNDS AND METHODS UNIV OREGON STATE (US) 2021-12-15 EP disclosed
WO-2021087082-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE THE JOHNS HOPKINS UNIVERSITY (US) 2021-05-06 WO disclosed
WO-2021087083-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSITY (US) 2021-05-06 WO disclosed
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 EP disclosed
EP-2861581-B9 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-08-30 EP disclosed
US-9255062-B2 Fatty acid derivatives for oral administration endowed with high palatability RHEA INNOVATIONS S.R.L. (IT) 2016-02-09 US disclosed
CN-102105436-B Oral fatty acid derivatives endowed with high palatability BERNI CANANI ROBERTO 2014-11-12 CN disclosed
CN-102105436-A Oral fatty acid derivatives endowed with high palatability ROBERTO BERNI CANANI 2011-06-22 CN disclosed
US-20110098319-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY RHEA INNOVATIONS S.R.L. (IT) 2011-04-28 US disclosed
EP-2268605-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PAIA- TABILITY Berni Canani, Roberto (IT) 2011-01-05 EP disclosed
WO-2009130735-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY BERNI CANANI ROBERTO (IT) 2009-10-29 WO disclosed
EP-1409688-A2 NUCLEIC ACID SEQUENCES ENCODING ENANTIOSELECTIVE AMIDASES DSM IP Assets B.V. (NL) 2004-04-21 EP disclosed
WO-2003010312-A2 NUCLEIC ACID SEQUENCES ENCODING ENANTIOSELECTIVE AMIDASES DSM IP ASSETS B.V. (NL) 2003-02-06 WO disclosed
EP-0495013-B1 HEXAPEPTIDES WITH SULPHATE ESTER GROUPS FISONS CORP (US) 1995-03-08 EP disclosed
EP-0226217-B1 Peptides with sulfate ester group FISONS CORP (US) 1994-01-26 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 (2 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-20110098319-A1 FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY FABP2, FFAR2, VIP SIGMAR1 2001/4885EPHX1 4011/4885FCER2 1416/4885
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH LRBA, HADHA, IMPDH1 SIGMAR1 4861/4885EPHX1 2056/4885FCER2 4023/4885

“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.