SCHEMBL2964327

SCHEMBL2964327

Cc1ccnc(CCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.46
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
EGFR P00533 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
UHRF1 Q96T88 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
TBXAS1 P24557 1/20 0.40
SYK P43405 1/20 0.40
THRA P10827 1/20 0.40

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
SCHEMBL27974102 0.87 UHRF1 (0.42) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL3825426 0.86 PKM (0.44) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL10790143 0.84 KDM4E (0.42) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL25046388 0.84 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2TSHRMEN1
SCHEMBL26806681 0.83 IAPP (0.42) NPC1RAB9ASMN1; SMN2TSHRMEN1
Hydrochloric Acid SCHEMBL9030429 0.82 KDM4E (0.45) RAB9AMEN1KMT2AUHRF1CCR1
SCHEMBL3548760 0.81 KDM4E (0.47) RAB9AMEN1KMT2AUHRF1CCR1
SCHEMBL19013912 0.79 HPGD (0.45) FFAR1THRATHRB
SCHEMBL4855353 0.79 GPR17 (0.43) FFAR1TBXAS1
SCHEMBL12815057 0.79 KDM4E (0.50) FFAR1SMN1; SMN2THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020139636-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2020-07-02 WO disclosed
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
EP-0093306-A1 Methods for the preparation of azo compounds, and azo compounds BAYER AG (DE) 1983-11-09 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 FFAR1 2851/4885NPSR1 1631/4885NPC1 1326/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 FFAR1 2851/4885NPSR1 1631/4885NPC1 1326/4885

“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.