SCHEMBL244467

SCHEMBL244467

Cc1cc2ncccc2c(Br)c1[C@H](O)CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
ATAD2 Q6PL18 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HTT P42858 3/20 0.33
SLC6A2 P23975 2/20 0.33
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
NUDT1 P36639 1/20 0.32
MEN1 O00255 2/20 0.32
TP53 P04637 2/20 0.32
HSP90AA1 P07900 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALOX15B O15296 1/20 0.32
NR1I2 O75469 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL15093354 1.00 SYK (0.33) SYKKDM4EMAPTATAD2CYP1A2
SCHEMBL15093346 1.00 SYK (0.33) SYKKDM4EMAPTATAD2CYP1A2
SCHEMBL250684 0.79 MAPT (0.35) MAPTCYP1A2KMT2AALDH1A1OPRK1
SCHEMBL251939 0.77 SYK (0.39) SYKNR4A2BRD4
SCHEMBL15093543 0.76 COMT (0.39) KDM4EMAPTHTTMEN1HSP90AA1
SCHEMBL15093548 0.76 COMT (0.39) KDM4EMAPTHTTMEN1HSP90AA1
SCHEMBL15093545 0.76 COMT (0.39) KDM4EMAPTHTTMEN1HSP90AA1
SCHEMBL15093324 0.76 SYK (0.32) SYKBRD4
SCHEMBL243422 0.74 HTT (0.45) KDM4EMAPTATAD2CYP1A2CYP1B1
SCHEMBL254910 0.74 NPC1 (0.34)

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 18 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
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-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-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-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
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
EP-2588455-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 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 SYK 4481/4885KDM4E 915/4885MAPT 557/4885
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 SYK 4873/4885KDM4E 2264/4885MAPT 1301/4885

“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.