SCHEMBL5801345

SCHEMBL5801345

O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
GAA P10253 2/20 0.70
MEN1 O00255 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
SLC40A1 Q9NP59 1/20 0.56
SLC22A12 Q96S37 2/20 0.55
FFAR4 Q5NUL3 1/20 0.55
ALDH1A1 P00352 2/20 0.54
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
BCL2L1 Q07817 1/20 0.52
MCL1 Q07820 1/20 0.52
PTGES2 Q9H7Z7 1/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL7991409 0.92 KMT2A (0.62) KMT2AGAAMEN1CYP1A2CYP3A4
SCHEMBL15770989 0.87 KMT2A (0.68) KMT2AGAAMEN1CYP1A2CYP3A4
SCHEMBL4347737 0.87 KMT2A (0.68) KMT2AGAAMEN1CYP1A2CYP3A4
SCHEMBL15772062 0.83 KMT2A (0.63) KMT2AGAAMEN1CYP1A2CYP3A4
SCHEMBL17978457 0.83 KMT2A (0.59) KMT2AGAAMEN1CYP1A2CYP3A4
SCHEMBL8712240 0.83 GAA (1.00) KMT2AGAAMEN1CYP1A2CYP3A4
SCHEMBL14409287 0.83 KMT2A (0.63) KMT2AGAAMEN1CYP1A2CYP3A4
SCHEMBL17978438 0.83 USP2 (0.77) KMT2AGAAMEN1TSHRALDH1A1
SCHEMBL10224268 0.82 ALDH1A1 (0.57) KMT2AGAAMEN1CYP1A2CYP3A4
SCHEMBL2209345 0.81 KMT2A (0.50) KMT2AGAAMEN1CYP1A2CYP3A4

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
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 WO disclosed
EP-1009743-B1 CERTAIN BENZOTHIAZINE DIOXIDE ENDOTHELIN ANTAGONISTS AND PROCESSES FOR THEIR PREPARATION WARNER LAMBERT CO (US) 2004-06-30 EP disclosed
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2003-04-17 US disclosed
US-6545150-B2 Preparing 1,1-dioxo-2-phenyl-3-carboxy-4-phenyl-1,2-benzo(e)-thiazines by a five-step process starting with a (2-(methyl-oxycarbonyl-)phenyl-sulfonamido-)benzene; alkylation; cyclization; hydroxylation; esterification and coupling WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-6440962-B2 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS WARNER-LAMBERT COMPANY 2002-08-27 US disclosed
US-20020094980-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation BUNKER AMY MAE (US) 2002-07-18 US disclosed
US-6265399-B1 ALKYLATION; CYCLIZATION WARNER-LAMBERT COMPANY 2001-07-24 US disclosed
US-6252070-B1 REACTING ARYL BROMIDE WITH BUTYLLITHIUM AND ZINC BROMIDE TO GIVE ARYL ZINC BROMIDE; REACTING WITH CORRESPONDING BENZOTHIAZINE COMPOUND WARNER-LAMBERT COMPANY 2001-06-26 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-20020094980-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB KMT2A 1533/4885GAA 4471/4885MEN1 155/4885
US-20030073684-A1 Certain benzothiazine dioxide endothelin antagonists and processes for their preparation ECE1, EDNRA, EDNRB KMT2A 1533/4885GAA 4471/4885MEN1 155/4885

“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.