SCHEMBL1701443

SCHEMBL1701443

Cc1cc2ccc(C#CC(C)(C)O)cc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
PSIP1 O75475 1/20 0.41
PTGES O14684 1/20 0.33
TBXAS1 P24557 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.32
TNIK Q9UKE5 1/20 0.32
EGFR P00533 1/20 0.32
KCNH2 Q12809 1/20 0.31
MAP3K14 Q99558 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
SCHEMBL1699700 1.00 CYP3A4 (0.43) CYP3A4PSIP1PTGESTBXAS1MAPT
SCHEMBL1699431 0.94 CYP3A4 (0.44) CYP3A4PSIP1SLCO1B1PTGDR2KCNH2
SCHEMBL15165220 0.93 CYP3A4 (0.36) CYP3A4PSIP1PTGESTBXAS1MAPT
SCHEMBL15165190 0.93 CYP3A4 (0.36) CYP3A4PSIP1PTGESTBXAS1MAPT
SCHEMBL1699426 0.92 CYP3A4 (0.43) CYP3A4PSIP1SLCO1B1PTGDR2KCNH2
SCHEMBL1699732 0.92 CYP3A4 (0.43) CYP3A4PSIP1SLCO1B1PTGDR2KCNH2
SCHEMBL1699458 0.91 CYP3A4 (0.41) CYP3A4PSIP1SLCO1B1PTGDR2KCNH2
SCHEMBL15093322 0.90 CYP3A4 (0.41) CYP3A4PSIP1SLCO1B1PTGDR2TNIK
SCHEMBL15093319 0.90 CYP3A4 (0.41) CYP3A4PSIP1SLCO1B1PTGDR2TNIK
SCHEMBL15099782 0.90 CYP3A4 (0.41) CYP3A4PSIP1SLCO1B1PTGDR2TNIK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 EP disclosed
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 EP disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
EP-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS 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-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 CYP3A4 2058/4885PSIP1 3788/4885PTGES 4155/4885

“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.