SCHEMBL1699336

SCHEMBL1699336

Cc1cc2ccc(CCC3CC3)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
PSIP1 O75475 1/20 0.43
KCNH2 Q12809 1/20 0.36
P2RX3 P56373 2/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.34
FAAH O00519 1/20 0.33
VCP P55072 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL1699418 0.96 PSIP1 (0.44) CYP3A4PSIP1KCNH2P2RX3SLCO1B1
SCHEMBL15165219 0.93 CYP3A4 (0.37) CYP3A4PSIP1KCNH2P2RX3PTGDR2
SCHEMBL15165213 0.90 PSIP1 (0.37) CYP3A4PSIP1P2RX3PTGDR2FAAH
SCHEMBL1699360 0.87 CYP3A4 (0.43) CYP3A4PSIP1KCNH2SLCO1B1PTGDR2
SCHEMBL1699565 0.87 CYP3A4 (0.46) CYP3A4PSIP1KCNH2SLCO1B1PTGDR2
SCHEMBL27903919 0.86 CTRC (0.36) CYP3A4P2RX3PTGDR2FAAHVCP
SCHEMBL1699425 0.85 CYP3A4 (0.44) CYP3A4PSIP1KCNH2SLCO1B1PTGDR2
SCHEMBL1699777 0.85 CYP3A4 (0.50) CYP3A4PSIP1PTGDR2
SCHEMBL1699609 0.84 PSIP1 (0.43) CYP3A4PSIP1KCNH2SLCO1B1PTGDR2
SCHEMBL10271610 0.84 CYP3A4 (0.49) CYP3A4PSIP1PTGDR2

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 3788/4885KCNH2 2759/4885

“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.