SCHEMBL2433338

SCHEMBL2433338

O=C(Nc1ccc(B(O)O)cc1)c1cscn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.54
GRM1 Q13255 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
TRPV1 Q8NER1 5/20 0.46
ROCK2 O75116 1/20 0.44
PIM1 P11309 1/20 0.43
MAP3K5 Q99683 1/20 0.43
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 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
SCHEMBL1249547 0.83 GRM4 (0.58) GRM4GRM1PTGDR2MAP3K5NPC1
SCHEMBL2430624 0.81 GRM4 (0.56) GRM4GRM1KDM4EPTGDR2TRPV1
SCHEMBL15701090 0.81 GRM4 (0.56) GRM4GRM1KDM4EPTGDR2ROCK2
SCHEMBL15070508 0.81 RAB9A (0.59) GRM4GRM1KDM4EPTGDR2MAP3K5
SCHEMBL168520 0.81 GRM4 (0.63) GRM4GRM1KDM4EPTGDR2PIM1
SCHEMBL28176826 0.80 GRM4 (0.54) GRM4GRM1KDM4EROCK2NPC1
SCHEMBL15707225 0.79 MAPT (0.57) GRM4GRM1PTGDR2MAP3K5NPC1
SCHEMBL30073699 0.78 NPC1 (0.61) GRM4KDM4ETRPV1NPC1RAB9A
SCHEMBL27530033 0.78 MAPT (0.60) GRM4GRM1KDM4EPTGDR2MAP3K5
SCHEMBL15707505 0.77 NPC1 (0.52) GRM4PTGDR2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914591-B1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INT (DE) 2017-10-11 EP disclosed
US-9284310-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-15 US disclosed
US-20150315180-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-05 US disclosed
US-20150315180-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-05 US disclosed
WO-2014070978-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 WO disclosed
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 GRM4 3141/4885GRM1 2793/4885KDM4E 1120/4885
US-20150315180-A1 INHIBITORS OF CYTOMEGALOVIRUS IFNAR1, ZC3HAV1, CCNA1 GRM4 4366/4885GRM1 2915/4885KDM4E 2196/4885

“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.