SCHEMBL4082732

SCHEMBL4082732

CC(=O)c1cc(NC(=O)C(F)(F)F)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
NPY5R Q15761 3/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
EPHX2 P34913 2/20 0.42
MTNR1B P49286 1/20 0.41

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
SCHEMBL4078006 0.83 SMN1; SMN2 (0.60) L3MBTL1SMN1; SMN2MAPTCA12CA1
SCHEMBL8278647 0.83 L3MBTL1 (0.58) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL31146306 0.81 CYP1A2 (0.56) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL6602968 0.81 CYP1A2 (0.56) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL6540259 0.80 CYP1A2 (0.55) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL22990813 0.80 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL7897266 0.79 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL13602467 0.79 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12202770 0.78 AR (0.55) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12359011 0.78 EPHX2 (0.43) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002420-A1 PROCESS AND INTERMEDIATES FOR PREPARATION OF THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2019-01-03 US disclosed
US-8507479-B2 2013-08-13 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 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-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 L3MBTL1 1241/4885CYP1A2 385/4885CYP2C9 1472/4885
US-20190002420-A1 PROCESS AND INTERMEDIATES FOR PREPARATION OF THIAZINE DERIVATIVES CYP11B2, CYP11B1, DHPS L3MBTL1 4311/4885CYP1A2 69/4885CYP2C9 24/4885

“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.