SCHEMBL244377

SCHEMBL244377

CCOC(=O)C(OC(C)(C)C)c1c(C)cc2c(ccc(C)[n+]2[O-])c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
PSIP1 O75475 1/20 0.32
MAPT P10636 5/20 0.32
ALDH1A1 P00352 5/20 0.32
LMNA P02545 4/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 2/20 0.32
ABCB11 O95342 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
PMP22 Q01453 1/20 0.32
PPARA Q07869 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
FPR1 P21462 1/20 0.31
ALPL P05186 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
SCHEMBL244376 1.00 CYP3A4 (0.35) CYP3A4PSIP1MAPTALDH1A1LMNA
SCHEMBL3301000 0.90 CYP3A4 (0.35) CYP3A4PSIP1MAPTALDH1A1LMNA
SCHEMBL243425 0.83 NPC1 (0.32) CYP3A4TDP1
SCHEMBL15168473 0.83 NPC1 (0.32) CYP3A4TDP1
SCHEMBL244805 0.82 GAA (0.30) MAPTTDP1TSHR
SCHEMBL244898 0.82 GAA (0.30) MAPTTDP1TSHR
SCHEMBL3322921 0.82 PSIP1 (0.39) PSIP1ALDH1A1LMNAKDM4E
SCHEMBL3300974 0.81 PSIP1 (0.40) CYP3A4PSIP1MAPTALDH1A1LMNA
SCHEMBL245483 0.81 PSIP1 (0.40) CYP3A4PSIP1MAPTALDH1A1LMNA
SCHEMBL15165289 0.81 PSIP1 (0.39) CYP3A4PSIP1MAPTALDH1A1LMNA

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 CYP3A4 1995/4885PSIP1 3417/4885MAPT 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.