Sugi Predict

Sugi Predict / Compounds / SCHEMBL884554

SCHEMBL884554

SCHEMBL884554

Cn1cc(S(=O)(=O)N2CCCC(n3c(-c4ccccc4)c(C(=O)N4CCNCC4)n(Cc4ccc(F)c(F)c4)c3=O)C2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PARP1 P09874 5/20 0.32
▸ PARP2 Q9UGN5 3/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ PDPK1 O15530 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK8 P45983 2/20 0.32
▸ MAPK9 P45984 2/20 0.32
▸ MAPK10 P53779 2/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CRHBP P24387 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
SCHEMBL884614 0.91 LMNA (0.37) L3MBTL1PARP1PARP2ALDH1A1HPGD
SCHEMBL2062324 0.89 ALDH1A1 (0.38) L3MBTL1ALDH1A1LMNAPOLBMEN1
SCHEMBL884654 0.89 POLB (0.35) HDAC1HDAC8HDAC6ALDH1A1LMNA
SCHEMBL2062532 0.88 HTR1A (0.38) HDAC1HDAC8HDAC6ALDH1A1LMNA
SCHEMBL884801 0.86 HTR1A (0.37) HDAC1HDAC8HDAC6ALDH1A1LMNA
SCHEMBL886798 0.85 ENPP2 (0.35) L3MBTL1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL886633 0.85 HDAC1 (0.34) L3MBTL1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL885861 0.85 SMN1; SMN2 (0.37) TDP1ALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL885934 0.85 HTR1A (0.35) HDAC1HDAC8HDAC6ALDH1A1LMNA
SCHEMBL885566 0.84 HTR1A (0.36) L3MBTL1ALDH1A1LMNAKMT2A

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 TDP1 4131/4885L3MBTL1 4883/4885PARP1 3293/4885

“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.