SCHEMBL2960120

SCHEMBL2960120

Cc1cccc(C(O)=S)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 2/20 0.63
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
KMT2A Q03164 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
TRPA1 O75762 3/20 0.50
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MYC P01106 1/20 0.38
PLAU P00749 2/20 0.38

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
SCHEMBL18091827 0.80 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL8701490 0.79 TRPA1 (0.46) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL31135508 0.78 HPGD (0.47) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL1029641 0.78 HPGD (0.47) ALDH1A1KDM4EHPGDHSD17B10KMT2A
Hydroxytoluic Acid SCHEMBL29499765 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10KMT2A
Hydroxytoluic Acid SCHEMBL8352264 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10KMT2A
Hydroxytoluic Acid SCHEMBL28037743 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10KMT2A
Hydroxytoluic Acid SCHEMBL25756 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10KMT2A
Benzene SCHEMBL28244921 0.77 ALDH1A1 (0.93) ALDH1A1KDM4EHPGDHSD17B10KMT2A
Hydrochloric Acid SCHEMBL10333053 0.76 MAOA (0.47) ALDH1A1KDM4EHPGDHSD17B10CYP3A4

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 ALDH1A1 273/4885KDM4E 3627/4885HPGD 1550/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 ALDH1A1 273/4885KDM4E 3627/4885HPGD 1550/4885

“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.