SCHEMBL2960122

SCHEMBL2960122

CSc1cccc(C(=O)O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 1/20 0.57
ALB P02768 1/20 0.52
MMP2 P08253 1/20 0.52
POLB P06746 2/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
HNF4A P41235 1/20 0.48
KMT2A Q03164 3/20 0.44
HMGB1 P09429 2/20 0.44
ALOX15 P16050 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL144896 0.83 POLB (0.65) ALDH1A1KDM4EHPGDHSD17B10ALB
SCHEMBL8917873 0.82 MAPT (0.49) ALDH1A1KDM4EHSD17B10POLBKMT2A
SCHEMBL709788 0.81 POLB (0.68) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL29391544 0.81 POLB (0.68) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL11805965 0.80 POLB (0.50) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL2427544 0.80 POLB (0.50) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL9755026 0.79 HPGD (0.52) ALDH1A1KDM4EHPGDHSD17B10ALB
Hydrochloric Acid SCHEMBL6682455 0.79 POLB (0.65) ALDH1A1HPGDPOLBCA12CA1
SCHEMBL28409820 0.79 POLB (0.65) ALDH1A1HPGDPOLBCA12CA1
Ammonia Solution, Strong SCHEMBL28040603 0.79 POLB (0.65) ALDH1A1HPGDPOLBCA12CA1

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 11 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-0958275-A4 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 UNIV VANDERBILT (US) 2004-12-01 EP disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
US-6284918-B1 ENZYME INHIBITORS VANDERBILT UNIVERSITY 2001-09-04 US disclosed
EP-0958275-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1999-11-24 EP disclosed
US-5973191-A AN ACETOXYPHENYLALKYL SULFIDE, SALT OR HYDRATE VANDERBILT UNIVERSITY (US) 1999-10-26 US disclosed
WO-1998029382-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1998-07-09 WO disclosed
US-4146631-A ANTIALLERGENS, RESPIRATORY DISORDERS MAY & BAKER LIMITED (GB) 1979-03-27 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 (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.