Sugi Predict

Sugi Predict / Compounds / SCHEMBL884892

SCHEMBL884892

SCHEMBL884892

CC(C)CC(=O)NCCn1c(C(=O)N2CCNCC2)c(-c2ccccc2)n(C2CCCN(S(=O)(=O)c3ccccc3)C2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2C19 P33261 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ DPP4 P27487 2/20 0.34
▸ USP2 O75604 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL884476 0.96 LMNA (0.35) MMP3ADAM17KMT2AGAAALDH1A1
SCHEMBL885584 0.93 HDAC1 (0.32) MMP3ADAM17GAAALDH1A1LMNA
SCHEMBL886272 0.89 ALDH1A1 (0.32) MMP3ADAM17KMT2AALDH1A1MEN1
SCHEMBL884623 0.89 MMP3 (0.36) MMP3ADAM17KMT2AALDH1A1CYP2C19
SCHEMBL884393 0.89 USP5 (0.39) KMT2AGAAALDH1A1MEN1PKM
SCHEMBL885588 0.88 OPRL1 (0.32) KMT2AALDH1A1MEN1
SCHEMBL884320 0.87 LMNA (0.39) KMT2AALDH1A1CYP2C19MEN1PKM
SCHEMBL884523 0.86 MMP3 (0.35) MMP3ADAM17KMT2AALDH1A1CYP2C19
SCHEMBL884369 0.84 USP5 (0.38) KMT2AALDH1A1CYP2C19MEN1PKM
SCHEMBL884541 0.84 CYP2C19 (0.36) KMT2AALDH1A1CYP2C19MEN1PKM

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 206/4885KMT2A 4058/4885

“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.