SCHEMBL4158564

SCHEMBL4158564

CC[C@H]1C(=O)Nc2ccc(F)cc2N1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MAPK1 P28482 2/20 0.42
MEN1 O00255 4/20 0.38
EGFR P00533 2/20 0.38
BRD4 O60885 3/20 0.36
MAPT P10636 1/20 0.35
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL8001613 0.83 KMT2A (0.43) KMT2AMAPK1MEN1MAPTOPRM1
Opaviraline SCHEMBL29388810 0.83 KMT2A (0.43) KMT2AMAPK1MEN1MAPT
Opaviraline SCHEMBL464732 0.83 KMT2A (0.43) KMT2AMAPK1MEN1MAPT
Opaviraline SCHEMBL865250 0.83 KMT2A (0.43) KMT2AMAPK1MEN1MAPT
SCHEMBL4870172 0.81 MAPK1 (0.48) KMT2AMAPK1MEN1BRD4MAPT
SCHEMBL4916100 0.81 MAPK1 (0.48) KMT2AMAPK1MEN1BRD4MAPT
SCHEMBL4870381 0.81 MAPK1 (0.48) KMT2AMAPK1MEN1BRD4MAPT
SCHEMBL4863649 0.77 RAB9A (0.43) KMT2AMAPK1MAPT
SCHEMBL4869909 0.73 ALDH1A1 (0.42) KMT2A
SCHEMBL31689283 0.72 KMT2A (0.35) KMT2AMEN1EGFRNR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US claimed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US claimed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US claimed
EP-1686113-A1 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-08-02 EP claimed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP claimed
US-6878728-B1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICAL INCORPORATED (US) 2005-04-12 US claimed
US-20040122000-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED. 2004-06-24 US claimed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 US disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
CN-101239063-A Pharmaceutical compositions GLAXO GROUP LTD (GB) 2008-08-13 CN disclosed
EP-0979082-A1 ANTIVIRAL COMBINATIONS CONTAINING THE CARBOCYCLIC NUCLEOSIDE 1592U89 GLAXO GROUP LIMITED (GB) 2000-02-16 EP disclosed
WO-2000004033-A1 CALCIUM (3S) TETRAHYDRO-3-FURANYL(1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO] -1-BENZYL-2- (PHOSPHONOOXY) PROPYLCARBAMATE GLAXO GROUP LIMITED (GB) 2000-01-27 WO disclosed
WO-1999064001-A2 METHODS AND COMPOSITIONS FOR INCREASING PENETRATION OF HIV PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-12-16 WO disclosed
WO-1999055372-A1 HOMOGENEOUS PHARMACEUTICAL COMPOSITIONS COMPRISING ABACAVIR, LAMIVUDINE AND ZIDOVUDINE GLAXO GROUP LIMITED (GB) 1999-11-04 WO disclosed
WO-1999039691-A2 PHARMACEUTICAL COMPOSITIONS GLAXO GROUP LIMITED (GB) 1999-08-12 WO disclosed
WO-1998056761-A2 BENZIMIDAZOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-12-17 WO disclosed
WO-1998052570-A1 ANTIVIRAL COMBINATIONS CONTAINING THE CARBOCYCLIC NUCLEOSIDE 1592U89 GLAXO GROUP LIMITED (GB) 1998-11-26 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-20090042973-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 KMT2A 864/4885MAPK1 3466/4885MEN1 4418/4885
US-20040122000-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 KMT2A 864/4885MAPK1 3466/4885MEN1 4418/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 KMT2A 864/4885MAPK1 3466/4885MEN1 4418/4885

“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.