SCHEMBL244058

SCHEMBL244058

Cc1cc2ncccc2c(-c2ccc(Cl)cc2)c1C(O)COC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IL1B P01584 1/20 0.35
LTB4R Q15722 1/20 0.35
XIAP P98170 3/20 0.35
BIRC2 Q13490 3/20 0.35
SYK P43405 1/20 0.34
DHODH Q02127 1/20 0.34
TACR3 P29371 1/20 0.33
NR3C1 P04150 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL244056 1.00 NPC1 (0.36) NPC1RAB9ATDP1L3MBTL1IL1B
SCHEMBL244057 1.00 NPC1 (0.36) NPC1RAB9ATDP1L3MBTL1IL1B
SCHEMBL245641 0.88 CYP3A4 (0.35) NPC1RAB9ATDP1L3MBTL1IL1B
SCHEMBL245640 0.88 CYP3A4 (0.35) NPC1RAB9ATDP1L3MBTL1IL1B
SCHEMBL245642 0.88 CYP3A4 (0.35) NPC1RAB9ATDP1L3MBTL1IL1B
SCHEMBL244045 0.85 NPC1 (0.39) NPC1RAB9ATDP1L3MBTL1LTB4R
SCHEMBL244047 0.85 NPC1 (0.39) NPC1RAB9ATDP1L3MBTL1LTB4R
SCHEMBL244046 0.85 NPC1 (0.39) NPC1RAB9ATDP1L3MBTL1LTB4R
SCHEMBL245532 0.85 RAB9A (0.38) NPC1RAB9ATDP1L3MBTL1GPR119
SCHEMBL245533 0.85 RAB9A (0.38) NPC1RAB9ATDP1L3MBTL1GPR119

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 5 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-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US 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 (1 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-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 NPC1 332/4885RAB9A 154/4885TDP1 3854/4885

“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.