Sugi Predict

Sugi Predict / Compounds / SCHEMBL16615581

SCHEMBL16615581

SCHEMBL16615581

C[C@]12CCCO[C@H]1Cn1cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)c(O)c1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ F2 P00734 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL16615563 0.86 SLC22A2 (0.45) —
SCHEMBL16615500 0.86 SLC22A2 (0.45) —
SCHEMBL16615506 0.86 SLC22A2 (0.47) —
SCHEMBL16615677 0.86 SLC22A2 (0.47) —
SCHEMBL16615562 0.86 SLC22A2 (0.44) —
SCHEMBL16615567 0.85 SLC22A2 (0.44) —
SCHEMBL16615568 0.84 SLC22A2 (0.45) —
SCHEMBL16615659 0.82 SLC22A2 (0.62) —
SCHEMBL16615404 0.82 SLC22A2 (0.62) —
SCHEMBL19763321 0.82 SLC22A2 (0.62) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201533-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-12 — — US disclosed
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 — — US disclosed
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 — — US disclosed
US-9861620-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-09 — — US disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 — — US disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 — — US disclosed
WO-2015048363-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-02 — — 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 (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-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 HPGD 779/4885MEN1 4210/4885KMT2A 839/4885
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 HPGD 779/4885MEN1 4210/4885KMT2A 839/4885
US-10201533-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors NQO2, CYP3A5, QTRT1 HPGD 779/4885MEN1 4210/4885KMT2A 839/4885

“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.