Sugi Predict

Sugi Predict / Compounds / SCHEMBL3300974

SCHEMBL3300974

SCHEMBL3300974

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ FPR1 P21462 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SIRT3 Q9NTG7 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CACNB4 O00305 2/20 0.34
▸ CACNA1A O00555 2/20 0.34
▸ CACNA1G O43497 2/20 0.34
▸ CACNG3 O60359 2/20 0.34

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
SCHEMBL245483 1.00 PSIP1 (0.40) PSIP1CYP3A4MAPTALDH1A1LMNA
SCHEMBL3311296 0.92 PSIP1 (0.48) PSIP1MAPTALDH1A1LMNATDP1
SCHEMBL245279 0.90 PSIP1 (0.42) PSIP1MAPTALDH1A1LMNATDP1
SCHEMBL243591 0.90 PSIP1 (0.41) PSIP1CYP3A4MAPTALDH1A1LMNA
SCHEMBL3298740 0.90 PSIP1 (0.39) PSIP1CYP3A4MAPTALDH1A1LMNA
SCHEMBL243592 0.90 PSIP1 (0.41) PSIP1CYP3A4MAPTALDH1A1LMNA
SCHEMBL3300978 0.90 PSIP1 (0.39) PSIP1CYP3A4MAPTALDH1A1LMNA
SCHEMBL15182561 0.89 PSIP1 (0.42) PSIP1CYP3A4LMNAKDM4EHPGD
SCHEMBL244717 0.89 PSIP1 (0.51) PSIP1CYP3A4KDM4EPOLB
SCHEMBL244914 0.89 PSIP1 (0.51) PSIP1CYP3A4KDM4EPOLB

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 PSIP1 3417/4885CYP3A4 1995/4885MAPT 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.