SCHEMBL5183124

SCHEMBL5183124

COC(=O)CC(C)(C)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.51
PRSS1 P07477 3/20 0.49
CTSG P08311 3/20 0.49
CTRB1 P17538 3/20 0.49
CMA1 P23946 3/20 0.49
CES1 P23141 3/20 0.47
TSHR P16473 2/20 0.47
AKT1 P31749 1/20 0.44
POLB P06746 2/20 0.42
ESRRB O95718 1/20 0.42
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10699043 0.84 CA1 (0.48) TSHRESRRBTDP1KDM4ECYP3A4
SCHEMBL6157711 0.84 MAPT (0.44) PRSS1CTSGCTRB1CMA1KMT2A
SCHEMBL6399385 0.83 MAPK1 (0.51) CES1KMT2ATDP1MEN1MAPT
SCHEMBL6153059 0.83 KMT2A (0.48) CES1POLBKMT2AMEN1MAPT
SCHEMBL6400649 0.83 POLB (0.44) CES1POLBKMT2ATDP1KDM4E
SCHEMBL6401663 0.83 HSD11B1 (0.57) SRCPRSS1CTSGCTRB1CMA1
SCHEMBL6804828 0.83 MAOB (0.57) KMT2AKDM4EMEN1MAPTSMN1; SMN2
SCHEMBL14632299 0.81 EPHX2 (0.44) PRSS1KMT2AMEN1MAPTHPGD
SCHEMBL6154138 0.81 ADRB2 (0.45) PRSS1CTSGCTRB1CMA1POLB
SCHEMBL6400748 0.81 CYP2C19 (0.53) SRCPRSS1CTSGCTRB1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583967-B1 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES AICURIS GMBH & CO KG (DE) 2007-06-27 EP disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
EP-1583967-A2 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES Bayer HealthCare AG (DE) 2005-10-12 EP disclosed
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 US disclosed
WO-2004060860-A2 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES BAYER HEALTHCARE AG (DE) 2004-07-22 WO disclosed
EP-1404657-A1 PYRIDAZINONE Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003002541-A1 PYRIDAZINONE BAYER HEALTHCARE AG (DE) 2003-01-09 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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK SRC 4171/4885PRSS1 2234/4885CTSG 3043/4885
US-20070004735-A1 Method for inhibiting the replication of herpes viruses RPL35, PCNA, MCM5 SRC 2579/4885PRSS1 2546/4885CTSG 516/4885

“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.