SCHEMBL245237

SCHEMBL245237

Cc1ccc2c(Br)c(C(OC(C)(C)C)C(=O)O)c(C)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.44
CYP3A4 P08684 2/20 0.35
NR1I2 O75469 1/20 0.33
SSTR4 P31391 1/20 0.33

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
SCHEMBL245485 1.00 PSIP1 (0.44) PSIP1CYP3A4NR1I2SSTR4
SCHEMBL3298653 0.87 PSIP1 (0.34) PSIP1SSTR4
SCHEMBL10283942 0.87 PSIP1 (0.34) PSIP1SSTR4
SCHEMBL15094121 0.87 PSIP1 (0.34) PSIP1
SCHEMBL246095 0.86 PSIP1 (0.41) PSIP1CYP3A4
SCHEMBL247042 0.86 PSIP1 (0.41) PSIP1CYP3A4
SCHEMBL243482 0.86 PSIP1 (0.41) PSIP1CYP3A4NR1I2
SCHEMBL245138 0.86 PSIP1 (0.41) PSIP1CYP3A4
SCHEMBL15186227 0.81 PSIP1 (0.52) PSIP1CYP3A4NR1I2
SCHEMBL242078 0.81 PSIP1 (0.52) PSIP1CYP3A4NR1I2

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 9 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-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-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
CN-103209963-A 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES INC 2013-07-17 CN 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

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 4574/4885CYP3A4 2700/4885NR1I2 3295/4885
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 PSIP1 3417/4885CYP3A4 1995/4885NR1I2 1972/4885

“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.