SCHEMBL15701059

SCHEMBL15701059

O=C(Cc1ccc(NC(=O)c2cscn2)nc1)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.43
PTGS1 P23219 2/20 0.42
P2RX7 Q99572 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
NAMPT P43490 1/20 0.40
MTOR P42345 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PRMT3 O60678 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MTTP P55157 1/20 0.39
TRPV1 Q8NER1 2/20 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
SCHEMBL15701250 0.92 BACE1 (0.42) HIF1AEPAS1MTORLMNABACE1
SCHEMBL15701080 0.85 NPC1 (0.54) DEGS1PTGS1HIF1AEPAS1POLB
SCHEMBL15701124 0.84 NR2E1 (0.44) HIF1AEPAS1POLB
SCHEMBL17148323 0.83 CSNK1D (0.43) DEGS1PTGS1HIF1AEPAS1
SCHEMBL15701236 0.82 P2RX7 (0.45) P2RX7LMNA
SCHEMBL15701095 0.79 MTOR (0.49) MTORLMNABACE1BACE2
SCHEMBL15701218 0.78 PSEN1 (0.53) LMNAPOLBHDAC3HDAC1HDAC2
SCHEMBL15701255 0.77 GRM4 (0.49) LMNA
SCHEMBL15701088 0.77 CYP3A4 (0.52) ATG4BLMNAPOLBBACE1
SCHEMBL15701016 0.76 MEN1 (0.53) PTGS1LMNAPOLBHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914592-B1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 US disclosed
WO-2014070979-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 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 (1 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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 DEGS1 3349/4885PTGS1 2712/4885P2RX7 2146/4885

“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.