Sugi Predict

Sugi Predict / Compounds / SCHEMBL7549160

SCHEMBL7549160

SCHEMBL7549160

CN1C(=N)N[C@](C)(c2ccc(C#N)s2)C(c2ccc(N3CCCC3=O)cc2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 8/20 0.33
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 4/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ GPR174 Q9BXC1 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ STAT3 P40763 1/20 0.31

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
SCHEMBL8192459 1.00 AKR1C3 (0.33) AKR1C3HPGDTSHRALDH1A1LMNA
SCHEMBL14105065 0.87 GPR174 (0.34) AKR1C3HPGDTSHRALDH1A1MEN1
SCHEMBL8196485 0.86 F10 (0.38) AKR1C3HPGDTSHRALDH1A1MEN1
SCHEMBL7563106 0.86 RAB9A (0.38) RAB9ASMN1; SMN2
SCHEMBL7573551 0.84 BACE1 (0.46) —
SCHEMBL7570093 0.83 — —
SCHEMBL8201491 0.83 — —
SCHEMBL7562169 0.83 — —
SCHEMBL13054384 0.82 BACE1 (0.32) PKM
SCHEMBL7558359 0.82 BACE1 (0.32) PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — 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 (3 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 AKR1C3 768/4885HPGD 2404/4885TSHR 1151/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D AKR1C3 2511/4885HPGD 1752/4885TSHR 3428/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D AKR1C3 2511/4885HPGD 1752/4885TSHR 3428/4885

“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.