SCHEMBL5116377

SCHEMBL5116377

COC(=O)c1ccc(NC2CCCCC2)c(N)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.62
YAP1 P46937 1/20 0.58
ALOX15 P16050 3/20 0.52
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 6/20 0.45
RIPK1 Q13546 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRK1 P41145 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL20685310 0.84 PTGER4 (0.54) PTGER4YAP1ALOX15KDM4EALDH1A1
SCHEMBL5122414 0.81 YAP1 (0.53) PTGER4YAP1ALOX15KDM4EALDH1A1
SCHEMBL17009690 0.80 PTGER4 (0.55) PTGER4YAP1ALOX15KDM4EALDH1A1
SCHEMBL13280602 0.80 ALDH1A1 (0.57) YAP1KDM4EALDH1A1RIPK1GAA
SCHEMBL23970466 0.79 PTGER4 (0.50) PTGER4YAP1ALOX15KDM4EALDH1A1
SCHEMBL30158905 0.79 PTGER4 (0.50) PTGER4YAP1ALOX15KDM4EALDH1A1
SCHEMBL8833932 0.79 YAP1 (0.62) YAP1ALOX15KDM4EALDH1A1RIPK1
SCHEMBL18830427 0.78 YAP1 (0.52) YAP1ALOX15KDM4EALDH1A1RIPK1
SCHEMBL17010421 0.77 PTGER4 (0.52) PTGER4YAP1KDM4EALDH1A1NPSR1
SCHEMBL17010419 0.77 PTGER4 (0.52) PTGER4YAP1KDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP disclosed
US-6841566-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM, LTD. (CA) 2005-01-11 US disclosed
US-20040224955-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-11-11 US disclosed
US-6794404-B2 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-09-21 US disclosed
EP-1411928-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-04-28 EP disclosed
US-20030236251-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-25 US disclosed
US-20030232816-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-18 US disclosed
EP-1301487-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-16 EP disclosed
WO-2003007945-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-01-30 WO disclosed
US-6479508-B1 INHIBITOR OF RNA DEPENDENT RNA POLYMERASE ACTIVITY OF THE ENZYME NS5B ENCODED BY HEPATITIS C VIRUS FOR TREATMENT AND PREVENTION OF HEPATITIS C INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-11-12 US disclosed
US-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 US disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 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 (4 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-20030236251-A1 Viral polymerase inhibitors POLR2H, CTDSP1, POLR2E PTGER4 1037/4885YAP1 3880/4885ALOX15 702/4885
US-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM PTGER4 4026/4885YAP1 3837/4885ALOX15 4597/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 PTGER4 4051/4885YAP1 3305/4885ALOX15 3917/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM PTGER4 4026/4885YAP1 3837/4885ALOX15 4597/4885

“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.