Sugi Predict

Sugi Predict / Compounds / SCHEMBL884476

SCHEMBL884476

SCHEMBL884476

CC(C)CC(=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 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL884892 0.96 MMP3 (0.36) LMNAMMP3ADAM17ALDH1A1KMT2A
SCHEMBL886272 0.93 ALDH1A1 (0.32) LMNAMMP3ADAM17ALDH1A1KMT2A
SCHEMBL884523 0.89 MMP3 (0.35) LMNAMMP3ADAM17ALDH1A1KMT2A
SCHEMBL885584 0.89 HDAC1 (0.32) LMNAMMP3ADAM17ALDH1A1GAA
SCHEMBL884369 0.89 USP5 (0.38) LMNAALDH1A1KMT2ACYP2C19CYP3A4
SCHEMBL2062365 0.88 ALDH1A1 (0.33) LMNAALDH1A1KMT2AGAAMEN1
SCHEMBL884541 0.87 CYP2C19 (0.36) LMNAALDH1A1KMT2ACYP2C19MEN1
SCHEMBL884623 0.86 MMP3 (0.36) LMNAMMP3ADAM17ALDH1A1KMT2A
SCHEMBL10224854 0.86 USP5 (0.37) LMNAALDH1A1KMT2AMEN1PKM
SCHEMBL884393 0.85 USP5 (0.39) LMNAALDH1A1KMT2AGAAMEN1

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 LMNA 824/4885MMP3 232/4885ADAM17 206/4885

“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.