SCHEMBL244047

SCHEMBL244047

Cc1ccc2c(-c3ccc(Cl)cc3)c(C(O)COC(=O)C(C)(C)C)c(C)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHODH Q02127 5/20 0.34
POLB P06746 2/20 0.33
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LTB4R Q15722 2/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 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
SCHEMBL244046 1.00 NPC1 (0.39) NPC1RAB9ATDP1L3MBTL1DHODH
SCHEMBL244045 1.00 NPC1 (0.39) NPC1RAB9ATDP1L3MBTL1DHODH
SCHEMBL15169226 0.93 NPC1 (0.39) NPC1RAB9ATDP1L3MBTL1DHODH
SCHEMBL15169231 0.93 NPC1 (0.39) NPC1RAB9ATDP1L3MBTL1DHODH
SCHEMBL15169229 0.93 NPC1 (0.39) NPC1RAB9ATDP1L3MBTL1DHODH
SCHEMBL244904 0.88 NPC1 (0.37) NPC1RAB9ATDP1L3MBTL1DHODH
SCHEMBL244905 0.88 NPC1 (0.37) NPC1RAB9ATDP1L3MBTL1DHODH
SCHEMBL244906 0.88 NPC1 (0.37) NPC1RAB9ATDP1L3MBTL1DHODH
SCHEMBL244058 0.85 NPC1 (0.36) NPC1RAB9ATDP1L3MBTL1DHODH
SCHEMBL244057 0.85 NPC1 (0.36) NPC1RAB9ATDP1L3MBTL1DHODH

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 6 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
CN-103209963-A 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES INC 2013-07-17 CN 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.