SCHEMBL1869827

SCHEMBL1869827

COC(=O)c1cc(Br)cc(OC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.51
ULK1 O75385 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
LMNA P02545 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
XDH P47989 1/20 0.42

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
SCHEMBL1791405 0.88 CA1 (0.50) ULK1CA1CA2CA12CA7
SCHEMBL1107694 0.88 CA1 (0.50) ULK1CA1CA2CA12CA7
SCHEMBL29672158 0.85 NOTUM (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL20944192 0.85 NOTUM (0.54) NOTUMCA1CA2CA12CA7
SCHEMBL2657122 0.83 LMNA (0.51) NOTUMULK1CA1CA2LMNA
SCHEMBL2657385 0.83 KMT2A (0.55) LMNANFKB1NFKB2RELANPC1
SCHEMBL29784105 0.83 KMT2A (0.55) LMNANFKB1NFKB2RELANPC1
SCHEMBL29130073 0.83 NOTUM (0.51) NOTUMCA1CA2CA12CA7
SCHEMBL1188442 0.82 NOTUM (0.57) NOTUMCA1CA2CA12CA7
SCHEMBL2652813 0.82 GCK (0.44) ULK1CA1CA2LMNANFKB1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113412113-B Amino oxazinamides 豪夫迈·罗氏有限公司 2024-07-26 CN disclosed
US-20210363152-A1 AMINOAZINE AMIDES HOFFMANN LA ROCHE (US) 2021-11-25 US disclosed
CN-113412113-A Aminooxazine amides 豪夫迈·罗氏有限公司 2021-09-17 CN disclosed
EP-3873473-A1 AMINOAZINE AMIDES F. Hoffmann-La Roche AG (CH) 2021-09-08 EP disclosed
EP-3406142-B1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS CELGENE INT II SARL (CH) 2020-12-23 EP disclosed
EP-3406142-B1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS CELGENE INT II SARL (CH) 2020-12-23 EP disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
WO-2020119896-A1 HETEROCYCLIC INHIBITORS OF ATX F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO disclosed
WO-2020123426-A1 AMINOAZINE AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-18 WO disclosed
US-8362048-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-29 US disclosed
US-8362048-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-29 US disclosed
US-8362048-B2 Selective sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-29 US disclosed
CN-102762100-A Selective sphingosine-1-phosphate receptor modulators and chiral synthesis methods RECEPTOS INC 2012-10-31 CN disclosed
EP-2498610-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS Receptos, Inc. (US) 2012-09-19 EP disclosed
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-14 US disclosed
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-14 US disclosed
US-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-14 US disclosed
WO-2011060392-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 WO disclosed
WO-2011060392-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2011-05-19 WO 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 (3 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-20110172202-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 NOTUM 2706/4885ULK1 1805/4885CA1 2979/4885
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 NOTUM 3574/4885ULK1 2764/4885CA1 2768/4885
US-20210363152-A1 AMINOAZINE AMIDES SLC6A15, SLC1A5, SLC7A5 NOTUM 3076/4885ULK1 4413/4885CA1 1306/4885

“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.