SCHEMBL3310645

SCHEMBL3310645

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(CN(C)c3ccccc3)ccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
PSIP1 O75475 1/20 0.36
CYP3A4 P08684 1/20 0.35
DHODH Q02127 3/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
FPR1 P21462 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
XBP1 P17861 1/20 0.32
CYP2C19 P33261 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL243156 1.00 MCHR1 (0.37) MCHR1PSIP1CYP3A4DHODHMAPT
SCHEMBL244600 0.93 PSIP1 (0.43) MCHR1PSIP1CYP3A4DHODH
SCHEMBL244061 0.93 PSIP1 (0.43) MCHR1PSIP1CYP3A4DHODH
SCHEMBL15182608 0.90 MCHR1 (0.37) MCHR1PSIP1CYP3A4DHODH
SCHEMBL3300978 0.86 PSIP1 (0.39) PSIP1CYP3A4MAPTKDM4EMEN1
SCHEMBL10284224 0.86 PSIP1 (0.36) PSIP1CYP3A4DHODHMAPTKDM4E
SCHEMBL241637 0.85 MCHR1 (0.36) MCHR1PSIP1CYP3A4DHODHMAPT
SCHEMBL241636 0.85 MCHR1 (0.36) MCHR1PSIP1CYP3A4DHODHMAPT
SCHEMBL241635 0.85 MCHR1 (0.36) MCHR1PSIP1CYP3A4DHODHMAPT
SCHEMBL245573 0.85 MCHR1 (0.37) MCHR1PSIP1CYP3A4DHODH

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-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
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US 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 MCHR1 2464/4885PSIP1 3417/4885CYP3A4 1995/4885

“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.