SCHEMBL13200058

SCHEMBL13200058

[C-]#[N+]c1cccc(SCC(=O)OC(C)(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
PRNP P04156 3/20 0.38
MEN1 O00255 2/20 0.38
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
ALDH1A1 P00352 6/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
KDM4E B2RXH2 5/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL13199783 0.85 HSD17B10 (0.49) KMT2APRNPMEN1ALDH1A1LMNA
SCHEMBL13200054 0.79 KDM4E (0.50) KMT2APRNPMEN1ALDH1A1KDM4E
SCHEMBL13217648 0.76 ALDH1A1 (0.47) KMT2APRNPMEN1CCNB2CCNE2
SCHEMBL13199720 0.75 NPSR1 (0.36) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL19403428 0.73 LMNA (0.67) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL13199774 0.72 HTR7 (0.33) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL30932932 0.70 CCNB2 (0.41) KMT2APRNPMEN1CCNB2CCNE2
SCHEMBL13199804 0.69 LMNA (0.36) ALDH1A1LMNAKDM4EMAPTHTT
SCHEMBL30932920 0.69 KDM4E (0.39) KMT2APRNPMEN1CCNB2CCNE2
SCHEMBL10315038 0.68 KDM4A (0.44) KMT2AMEN1HSD17B10MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 KMT2A 3139/4885PRNP 667/4885MEN1 203/4885

“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.