SCHEMBL246450

SCHEMBL246450

Cc1cc2nc(CO)ccc2c(C2=CCCCC2)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.45
CYP3A4 P08684 1/20 0.36
PSMB5 P28074 2/20 0.32
PSMB1 P20618 1/20 0.32
GRM2 Q14416 1/20 0.31
NR1I2 O75469 1/20 0.31
LNPEP Q9UIQ6 1/20 0.30

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
SCHEMBL3320653 0.91 PSIP1 (0.37) PSIP1PSMB5PSMB1GRM2
SCHEMBL244658 0.91 PSIP1 (0.43) PSIP1CYP3A4PSMB5PSMB1
SCHEMBL245525 0.91 PSIP1 (0.43) PSIP1CYP3A4PSMB5PSMB1
SCHEMBL246571 0.90 PSIP1 (0.43) PSIP1CYP3A4PSMB5PSMB1
SCHEMBL15182746 0.85 PSIP1 (0.37) PSIP1PSMB5PSMB1GRM2
SCHEMBL3299227 0.82 PSIP1 (0.35) PSIP1PSMB5
SCHEMBL3320486 0.82 PSIP1 (0.35) PSIP1PSMB5
SCHEMBL15182616 0.82 PSIP1 (0.35) PSIP1PSMB5PSMB1
SCHEMBL1699366 0.80 PSIP1 (0.43) PSIP1CYP3A4GRM2NR1I2
SCHEMBL1699326 0.80 PSIP1 (0.43) PSIP1CYP3A4GRM2NR1I2

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 PSIP1 3417/4885CYP3A4 1995/4885PSMB5 4181/4885

“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.