SCHEMBL2956529

SCHEMBL2956529

CSc1cc(SC)c(O)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.55
HMGB1 P09429 2/20 0.38
CXCL12 P48061 2/20 0.38
AKR1C2 P52895 5/20 0.37
AKR1C1 Q04828 5/20 0.37
AKR1C4 P17516 2/20 0.37
AKR1C3 P42330 2/20 0.37
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
ATIC P31939 1/20 0.35
PTPN1 P18031 4/20 0.35
PTPN2 P17706 1/20 0.35
PTPN6 P29350 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL11680036 0.81 MCL1 (0.50) MCL1AKR1C2AKR1C3HSD17B10POLB
SCHEMBL4461610 0.79 AKR1C2 (0.58) MCL1HMGB1CXCL12AKR1C2AKR1C1
SCHEMBL17774711 0.79 ALDH1A1 (0.50) MCL1HMGB1CXCL12AKR1C2AKR1C1
SCHEMBL338483 0.79 MCL1 (0.34) MCL1HPGDHSD17B10ALOX12MEN1
SCHEMBL28576374 0.72 MCL1 (0.47) MCL1HSD17B10TSHRPOLBALDH1A1
SCHEMBL13818447 0.72 MCL1 (0.47) MCL1HSD17B10TSHRPOLBALDH1A1
SCHEMBL10884847 0.71 CA1 (0.39) MCL1HPGDHSD17B10CYP2C9ALOX12
SCHEMBL2960122 0.71 ALDH1A1 (0.57) MCL1HMGB1HPGDHSD17B10CYP2C9
SCHEMBL3187695 0.71 MCL1 (1.00) MCL1HPGDHSD17B10THRBCYP2C9
Phenol SCHEMBL11111363 0.71 CA12 (0.44) MCL1HSD17B10CYP2C9POLBALDH1A1

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 5 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
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 MCL1 58/4885HMGB1 64/4885CXCL12 100/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MCL1 58/4885HMGB1 64/4885CXCL12 100/4885

“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.