SCHEMBL13614830

SCHEMBL13614830

CCCNS(=O)(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.76
AKR1C3 P42330 9/20 0.70
MEP1B Q16820 2/20 0.68
KMT2A Q03164 2/20 0.62
MAPK1 P28482 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HTT P42858 1/20 0.60
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
F2 P00734 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL30866646 1.00 CYP2C19 (0.76) CYP2C19AKR1C3MEP1BKMT2AMAPK1
SCHEMBL13614936 0.88 CYP2C19 (0.70) CYP2C19AKR1C3MEP1BKMT2AMAPK1
SCHEMBL27101333 0.87 CYP2C19 (0.57) CYP2C19AKR1C3MEP1BKMT2AMAPK1
SCHEMBL1017949 0.86 CYP2C19 (1.00) CYP2C19AKR1C3MEP1BKMT2AMAPK1
Hydrochloric Acid SCHEMBL5125599 0.85 CYP2C19 (0.72) CYP2C19AKR1C3MEP1BKMT2AMAPK1
SCHEMBL22557351 0.85 CYP2C19 (0.56) CYP2C19AKR1C3MEP1BKMT2AHTT
SCHEMBL13381555 0.85 CYP2C19 (0.76) CYP2C19AKR1C3MEP1BKMT2AMAPK1
SCHEMBL2281070 0.84 CYP2C19 (0.70) CYP2C19AKR1C3MEP1BKMT2AMAPK1
SCHEMBL26212220 0.84 CYP2C19 (0.70) CYP2C19AKR1C3MEP1BKMT2AMAPK1
SCHEMBL26731607 0.84 CYP2C19 (0.70) CYP2C19AKR1C3MEP1BKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112424201-B Protein kinase inhibitors that promote liver regeneration or reduce or prevent hepatocyte death 海帕瑞吉尼克斯股份有限公司 2024-04-02 CN disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-20220281864-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2022-09-08 US disclosed
US-8877946-B2 Benzylidene-indolinone compounds and their medical use NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-04 US disclosed
US-8877946-B2 Benzylidene-indolinone compounds and their medical use NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-04 US disclosed
US-8877946-B2 Benzylidene-indolinone compounds and their medical use NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-04 US disclosed
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-02-07 US disclosed
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-02-07 US disclosed
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-02-07 US disclosed
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 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 (3 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-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAPK7, MAPK14 CYP2C19 2763/4885AKR1C3 1815/4885MEP1B 1827/4885
US-20130035364-A1 BENZYLIDENE-INDOLINONE COMPOUNDS AND THEIR MEDICAL USE ERBB2, ABL1, IGF1R CYP2C19 115/4885AKR1C3 1050/4885MEP1B 2171/4885
US-20220281864-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH MAPK4, MAPK7, MAPK14 CYP2C19 2855/4885AKR1C3 1817/4885MEP1B 1823/4885

“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.