SCHEMBL5229927

SCHEMBL5229927

COc1cccc(C(=O)Nc2ccccc2)c1C

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 6/20 0.68
KCNK9 Q9NPC2 6/20 0.68
KMT2A Q03164 5/20 0.65
POLB P06746 1/20 0.63
MAPT P10636 2/20 0.61
RAB9A P51151 2/20 0.61
MAPK1 P28482 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.58
GAA P10253 3/20 0.57
MEN1 O00255 3/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 1/20 0.56
JAK2 O60674 1/20 0.56

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
SCHEMBL2362772 0.87 KMT2A (0.82) KCNK3KCNK9KMT2APOLBMAPT
SCHEMBL1441426 0.85 KCNK3 (0.60) KCNK3KCNK9KMT2APOLBALDH1A1
SCHEMBL27739490 0.84 RAB9A (0.76) KCNK3KCNK9KMT2APOLBMAPT
SCHEMBL13164047 0.83 POLB (0.77) KMT2APOLBMAPTRAB9AMAPK1
SCHEMBL5226578 0.83 KCNK3 (0.66) KCNK3KCNK9KMT2APOLBMAPT
SCHEMBL28289265 0.83 KCNK3 (0.66) KCNK3KCNK9KMT2APOLBMAPT
SCHEMBL10518821 0.82 KCNK3 (0.64) KCNK3KCNK9KMT2APOLBMAPT
SCHEMBL2721612 0.81 MAPT (0.73) KCNK3KCNK9KMT2APOLBMAPT
SCHEMBL5224370 0.81 KCNK3 (0.62) KCNK3KCNK9KMT2APOLBMAPT
SCHEMBL4138863 0.80 HPGD (0.77) KCNK3KCNK9KMT2APOLBRAB9A

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
EP-1340744-B1 Hiv protease inhibitors AGOURON PHARMA (US) 2007-05-23 EP disclosed
EP-0889036-B1 HIV protease inhibitors AGOURON PHARMA (US) 2004-12-29 EP disclosed
US-6693199-B2 DEPROTECTING CARBAMATE GROUP AND AMIDATING IN PRESENCE OF SUCH AS HYDROXYBENZOTRIAZOLE HYDRATE PROMOTER AGOURON PHARMACEUTICALS, INC. 2004-02-17 US disclosed
US-20030216569-A1 Method of making HIV protease inhibitors DRESSMAN BRUCE A (US) 2003-11-20 US disclosed
EP-1340744-A2 Hiv protease inhibitors Agouron Pharmaceuticals, Inc. (US) 2003-09-03 EP disclosed
US-6525215-B2 As antiviral agents suitable for therapy of patients or hosts infected with the HIV virus, which is known to cause AIDS AGOURON PHARMACEUTICALS, INC. 2003-02-25 US disclosed
EP-0722439-B1 HIV PROTEASE INHIBITORS AGOURON PHARMA (US) 2002-08-14 EP disclosed
US-20020077338-A1 HIV protease inhibitors DRESSMAN BRUCE A (US) 2002-06-20 US disclosed
US-6271235-B1 VIRICIDE AGOURON PHARMACEUTICALS, INC. 2001-08-07 US disclosed
EP-0857713-B1 Process for the preparation of 3-hydroxy- and 3-acetoxy-2-methylbenzoic acid CLARIANT GMBH (DE) 2001-06-13 EP disclosed
US-5827859-A ADMINISTERED TO TREAT AIDS; VIRICIDES AGOURON PHARMACEUTICALS, INC. 1998-10-27 US disclosed
US-5824688-A HIV protease inhibitors AGOURON PHARMACEUTICALS, INC. 1998-10-20 US disclosed
EP-0857713-A1 Process for the preparation of 3-hydroxy- and 3-acetoxy-2-methylbenzoic acid Clariant GmbH (DE) 1998-08-12 EP disclosed
EP-0741719-A4 INTERMEDIATE AND PROCESS FOR MAKING LILLY CO ELI (US) 1997-04-02 EP disclosed
EP-0741719-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0722439-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-07-24 EP disclosed
US-5484926-A VIRICIDES AND ENZYME INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-01-16 US disclosed
US-5461154-A HIV protease inhibitors ELI LILLY AND COMPANY (US) 1995-10-24 US disclosed
WO-1995021164-A1 INTERMEDIATE AND PROCESS FOR MAKING ELI LILLY AND COMPANY (US) 1995-08-10 WO 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 (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-20020077338-A1 HIV protease inhibitors PREP, PRSS1, SERPINB1 KCNK3 4593/4885KCNK9 4077/4885KMT2A 2618/4885
US-20030216569-A1 Method of making HIV protease inhibitors SERPINB1, PRSS1, PREP KCNK3 4468/4885KCNK9 3988/4885KMT2A 3599/4885

“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.