SCHEMBL5226504

SCHEMBL5226504

COc1ccc(Cl)c(C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
USP2 O75604 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRA2A P08913 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12139476 0.86 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMAPK1NPSR1
SCHEMBL11484541 0.83 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EMAPK1NPSR1
SCHEMBL14417429 0.82 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMAPK1NPSR1
SCHEMBL9417290 0.81 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMAPK1NPSR1
SCHEMBL9669244 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMAPK1MEN1
SCHEMBL14331559 0.79 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMAPK1NPSR1
SCHEMBL8990966 0.79 HTR2A (0.43) ALDH1A1MAPTKDM4EMAPK1NPSR1
SCHEMBL12818446 0.77 ADRA2A (0.41) ALDH1A1MAPTKDM4EMAPK1HPGD
SCHEMBL31027936 0.76 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMAPK1MEN1
SCHEMBL4404407 0.76 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338412-B2 Inhibitors of P38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-25 US disclosed
US-20110281878-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 US disclosed
US-20110160163-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-30 US disclosed
US-7951809-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 US disclosed
US-7919513-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-05 US disclosed
US-7919513-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-05 US disclosed
US-20090318452-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-24 US disclosed
US-20090318452-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-24 US disclosed
US-7598277-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
US-20090203702-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-08-13 US disclosed
EP-0889036-A1 HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. (US) 1999-01-07 EP disclosed
US-5852043-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-12-22 US disclosed
US-5846993-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-12-08 US disclosed
US-5834467-A AIDS TREATMENT; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-11-10 US disclosed
US-5827859-A ADMINISTERED TO TREAT AIDS; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827891-A FOR TREATMENT OF AIDS, BLOCKING REPLICATION OF HIV VIRUS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5827858-A ADMINISTERED TO TREAT AIDS AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 US disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
WO-1995009843-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1995-04-13 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 (4 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-20110160163-A1 INHIBITORS OF p38 ZAP70, MAPK1, MAP3K20 ALDH1A1 3654/4885MAPT 3056/4885KDM4E 2410/4885
US-20110281878-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 ALDH1A1 3189/4885MAPT 1883/4885KDM4E 3426/4885
US-20090318452-A1 INHIBITORS OF p38 ZAP70, MAPK1, MAP3K20 ALDH1A1 3654/4885MAPT 3056/4885KDM4E 2410/4885
US-20090203702-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 ALDH1A1 3189/4885MAPT 1883/4885KDM4E 3426/4885

“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.