SCHEMBL251165

SCHEMBL251165

Cc1cc2[nH]c(=O)ccc2c(-c2ccc(Cl)cc2)c1C(CO)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TNKS2 Q9H2K2 6/20 0.34
LMNA P02545 1/20 0.34
MDM2 Q00987 2/20 0.33
MDM4 O15151 1/20 0.33
CYP1A2 P05177 2/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALOX15 P16050 1/20 0.32
GPR35 Q9HC97 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
SCHEMBL251164 1.00 TP53 (0.39) TP53SMN1; SMN2PDE3BPDE3ATNKS2
SCHEMBL247064 0.87 TP53 (0.35) TP53SMN1; SMN2PDE3BPDE3ATNKS2
SCHEMBL247063 0.87 TP53 (0.35) TP53SMN1; SMN2PDE3BPDE3ATNKS2
SCHEMBL246298 0.87 TP53 (0.35) TP53SMN1; SMN2PDE3BPDE3ATNKS2
SCHEMBL252374 0.85 TP53 (0.35) TP53SMN1; SMN2PDE3BPDE3ATNKS2
SCHEMBL252373 0.85 TP53 (0.35) TP53SMN1; SMN2PDE3BPDE3ATNKS2
SCHEMBL15182550 0.84 TP53 (0.39) TP53SMN1; SMN2PDE3BPDE3ATNKS2
SCHEMBL245918 0.84 CYP3A4 (0.44) TP53SMN1; SMN2PDE3BPDE3ATNKS2
SCHEMBL15153967 0.78 GPR84 (0.40) TP53CYP1A2CYP3A4ALDH1A1HPGD
SCHEMBL1699489 0.78 GPR84 (0.40) TP53CYP1A2CYP3A4ALDH1A1HPGD

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 TP53 3536/4885SMN1; SMN2 2727/4885PDE3B 1278/4885

“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.