SCHEMBL16615659

SCHEMBL16615659

C[C@]12CCCO[C@H]1Cn1cc(C(=O)NCc3ccc(F)cc3F)c(=O)c(O)c1C2=O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 13/20 0.62
CYP3A4 P08684 1/20 0.62
TMEM97 Q5BJF2 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.62

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
SCHEMBL16615513 1.00 SLC22A2 (0.62) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL19763321 1.00 SLC22A2 (0.62) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL16615404 1.00 SLC22A2 (0.62) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL16615526 0.98 SLC22A2 (0.61) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL16615411 0.98 SLC22A2 (0.61) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL16615497 0.98 SLC22A2 (0.61) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL16615571 0.90 SLC22A2 (0.49) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL16615412 0.90 SLC22A2 (0.59) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL16615419 0.90 SLC22A2 (0.59) SLC22A2CYP3A4TMEM97ABCG2
SCHEMBL16615658 0.90 SLC22A2 (0.52) SLC22A2CYP3A4TMEM97ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190216725-A1 DRUG DELIVERY SYSTEM FOR THE DELIVERY OF INTEGRASE INHIBITORS Merck Shapr & Dohme Corp. (US) 2019-07-18 US claimed
US-10786488-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-29 US disclosed
US-20190216725-A1 DRUG DELIVERY SYSTEM FOR THE DELIVERY OF INTEGRASE INHIBITORS Merck Shapr & Dohme Corp. (US) 2019-07-18 US disclosed
US-20190216725-A1 DRUG DELIVERY SYSTEM FOR THE DELIVERY OF INTEGRASE INHIBITORS Merck Shapr & Dohme Corp. (US) 2019-07-18 US disclosed
WO-2018140368-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-02 WO disclosed
WO-2018057408-A1 DRUG DELIVERY SYSTEM FOR THE DELIVERY OF INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-29 WO 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
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 (4 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-20190216725-A1 DRUG DELIVERY SYSTEM FOR THE DELIVERY OF INTEGRASE INHIBITORS ABCB1, TMPRSS15, ING2 SLC22A2 1511/4885CYP3A4 171/4885TMEM97 2768/4885
US-10786488-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors NQO2, IRF3, ABL1 SLC22A2 2336/4885CYP3A4 57/4885TMEM97 3568/4885
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 SLC22A2 1836/4885CYP3A4 27/4885TMEM97 3425/4885
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 SLC22A2 1836/4885CYP3A4 27/4885TMEM97 3425/4885

“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.