Sugi Predict

Sugi Predict / Compounds / SCHEMBL8354904

SCHEMBL8354904

SCHEMBL8354904

COC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ TACR3 P29371 8/20 0.49
▸ PLA2G2A P14555 2/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ KLK7 P49862 1/20 0.41

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
SCHEMBL4617427 1.00 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL4981224 0.93 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL5692604 0.93 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL3052280 0.93 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL8203094 0.91 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
Hydrochloric Acid SCHEMBL4410289 0.89 HPGD (0.48) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL7095755 0.89 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL13451464 0.86 KDM4E (0.48) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL7096162 0.86 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A
SCHEMBL14095448 0.85 KMT2A (0.44) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435984-B2 Tertiary amine substituted peptides useful as inhibitors of HCV replication ACHILLION PHARMACEUTICALS, INC. (US) 2013-05-07 — — US disclosed
US-8435984-B2 Tertiary amine substituted peptides useful as inhibitors of HCV replication ACHILLION PHARMACEUTICALS, INC. (US) 2013-05-07 — — US disclosed
US-20100292219-A1 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2010-11-18 — — US disclosed
WO-2008106130-A2 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2008-09-04 — — WO disclosed
EP-1881002-A1 HCV NS-3 serine protease inhibitors Tibotec Pharmaceuticals Ltd. (IE) 2008-01-23 — — EP disclosed
WO-2004043339-A2 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 — — 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-20100292219-A1 TERTIARY AMINE SUBSTITUTED PEPTIDES USEFUL AS INHIBITORS OF HCV REPLICATION RTF2, RFC5, EIF2AK2 KDM4E 2472/4885SMN1; SMN2 4152/4885ALDH1A1 2021/4885

“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.