SCHEMBL3298653

SCHEMBL3298653

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C)ccc2c1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.34
LMNA P02545 2/20 0.33
PRNP P04156 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
F2 P00734 2/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
SSTR4 P31391 1/20 0.32
MAPT P10636 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL10283942 1.00 PSIP1 (0.34) PSIP1LMNAPRNPKDM4EALDH1A1
SCHEMBL15102853 0.89 ATM (0.32) LMNAPRNPKDM4EALDH1A1SMN1; SMN2
SCHEMBL3296618 0.88 PSIP1 (0.32) PSIP1LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL245485 0.87 PSIP1 (0.44) PSIP1SSTR4
SCHEMBL245237 0.87 PSIP1 (0.44) PSIP1SSTR4
SCHEMBL3297602 0.87 PSIP1 (0.32) PSIP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3298384 0.87 PSIP1 (0.32) PSIP1KDM4EALDH1A1SMN1; SMN2F2
SCHEMBL3311296 0.83 PSIP1 (0.48) PSIP1LMNAPRNPKDM4EALDH1A1
SCHEMBL15102881 0.82 LMNA (0.35) LMNAPRNPKDM4EALDH1A1SMN1; SMN2
SCHEMBL245483 0.81 PSIP1 (0.40) PSIP1LMNAKDM4EALDH1A1SMN1; SMN2

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
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
US-9376392-B2 2-(tert-butoxy)-2-(7-methylquinolin-6-yl) acetic acid derivatives for treating AIDS GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-9376392-B2 2-(tert-butoxy)-2-(7-methylquinolin-6-yl) acetic acid derivatives for treating AIDS GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20150045374-A1 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS GILEAD SCIENCES, INC. 2015-02-12 US disclosed
US-20150045374-A1 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS GILEAD SCIENCES, INC. 2015-02-12 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
WO-2013103724-A1 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS GILEAD SCIENCES, INC. (US) 2013-07-11 WO disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 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 (2 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-20150045374-A1 2- (TERT - BUTOXY) -2- (7 -METHYLQUINOLIN- 6 - YL) ACETIC ACID DERIVATIVES FOR TREATING AIDS NFATC1, ACIN1, TERT PSIP1 4574/4885LMNA 2390/4885PRNP 1208/4885
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 PSIP1 3417/4885LMNA 3491/4885PRNP 2722/4885

“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.