SCHEMBL884523

SCHEMBL884523

CC(C)CS(=O)(=O)NCCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.35
ADAM17 P78536 1/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
XIAP P98170 1/20 0.32
BIRC2 Q13490 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL884623 0.96 MMP3 (0.36) MMP3ADAM17LMNASMN1; SMN2MEN1
SCHEMBL885761 0.93 HDAC1 (0.33) MMP3ADAM17LMNASMN1; SMN2MEN1
SCHEMBL884541 0.90 CYP2C19 (0.36) LMNASMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL886810 0.90 CTSK (0.33)
SCHEMBL884476 0.89 LMNA (0.35) MMP3ADAM17LMNASMN1; SMN2MEN1
SCHEMBL886180 0.89 HDAC1 (0.33) MMP3ADAM17LMNASMN1; SMN2NPSR1
SCHEMBL884892 0.86 MMP3 (0.36) MMP3ADAM17LMNASMN1; SMN2MEN1
SCHEMBL884369 0.86 USP5 (0.38) LMNASMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL884320 0.86 LMNA (0.39) LMNASMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL885631 0.85 CTSK (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US claimed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US claimed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT MMP3 232/4885ADAM17 206/4885LMNA 824/4885

“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.