SCHEMBL10173273

SCHEMBL10173273

C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.55
REN P00797 3/20 0.55
KDM4E B2RXH2 1/20 0.55
F2 P00734 1/20 0.55
LMNA P02545 1/20 0.55
LTA4H P09960 1/20 0.55
MAPT P10636 1/20 0.55
PEPD P12955 1/20 0.55
ALOX15 P16050 1/20 0.55
PTGS1 P23219 1/20 0.55
HTR2A P28223 1/20 0.55
PTGS2 P35354 1/20 0.55
HRH1 P35367 1/20 0.55
THPO P40225 1/20 0.55
PMP22 Q01453 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ITGB3 P05106 1/20 0.51

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
SCHEMBL10173234 1.00 ACE (0.55) ACERENKDM4EF2LMNA
SCHEMBL9362237 1.00 ACE (0.55) ACERENKDM4EF2LMNA
SCHEMBL6783107 0.94 ACE (0.57) ACERENKDM4EF2LMNA
SCHEMBL6783112 0.94 ACE (0.57) ACERENKDM4EF2LMNA
SCHEMBL14407823 0.86 ALDH1A1 (0.51) ACERENKDM4EF2LMNA
SCHEMBL7363360 0.85 NPSR1 (0.49) ACERENKDM4EF2LMNA
SCHEMBL15832323 0.84 LMNA (0.49) ACEKDM4ELMNAHTR2AHSD17B10
SCHEMBL10121313 0.84 LMNA (0.49) ACEKDM4ELMNAHTR2AHSD17B10
SCHEMBL6437308 0.84 ALDH1A1 (0.55) ACERENF2LTA4HALDH1A1
SCHEMBL6437305 0.84 ALDH1A1 (0.55) ACERENF2LTA4HALDH1A1

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
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 US 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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ACE 640/4885REN 3400/4885KDM4E 3780/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ACE 640/4885REN 3400/4885KDM4E 3780/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ACE 640/4885REN 3400/4885KDM4E 3780/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 ACE 640/4885REN 3400/4885KDM4E 3780/4885

“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.