Sugi Predict

Sugi Predict / Compounds / SCHEMBL807271

SCHEMBL807271

SCHEMBL807271

CC(C)c1c(Cl)cc(CO)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.44
▸ RORC P51449 1/20 0.44
▸ ACHE P22303 1/20 0.39
▸ PNMT P11086 1/20 0.36
▸ RECQL P46063 1/20 0.34
▸ S1PR1 P21453 3/20 0.34
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CSNK2A1 P68400 2/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ROCK2 O75116 1/20 0.31

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
SCHEMBL8816007 0.81 THRB (0.37) THRBRORCS1PR1
SCHEMBL12985880 0.78 PNMT (0.38) PNMTALOX15ALOX12LMNACSNK2A1
SCHEMBL807531 0.76 CSNK2A1 (0.48) PNMTCSNK2A1ROCK2PRKCAAKT1
SCHEMBL20233094 0.76 THRB (0.44) THRBRORCACHEPNMTGABRA1
SCHEMBL11981468 0.75 ACHE (0.42) THRBRORCACHERECQLS1PR1
SCHEMBL8950745 0.75 ACHE (0.42) THRBRORCACHERECQLNPC1
SCHEMBL12303898 0.74 ACHE (0.37) THRBRORCACHEGABRA1GABRG2
SCHEMBL16955282 0.74 THRB (0.47) THRBRORCPNMTRECQLS1PR1
SCHEMBL10088554 0.74 THRB (0.47) THRBRORCACHEPNMTALOX12
SCHEMBL1965439 0.74 HPGD (0.48) THRBACHERECQLS1PR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 — — US disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 — — US disclosed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 — — US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 — — US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 — — US disclosed
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 — — US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 — — US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 — — US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 — — US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 — — US disclosed
WO-2012066061-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-24 — — WO disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 — — WO disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 — — WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 — — US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 — — US disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 — — US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 — — US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 — — 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 (9 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 THRB 872/4885RORC 122/4885ACHE 4063/4885
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 THRB 4318/4885RORC 962/4885ACHE 4715/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 THRB 2083/4885RORC 1151/4885ACHE 569/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 THRB 941/4885RORC 428/4885ACHE 4775/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R THRB 192/4885RORC 521/4885ACHE 600/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R THRB 192/4885RORC 521/4885ACHE 600/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 THRB 4318/4885RORC 962/4885ACHE 4715/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 THRB 4318/4885RORC 962/4885ACHE 4715/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 THRB 4318/4885RORC 962/4885ACHE 4715/4885

“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.