SCHEMBL1699418

SCHEMBL1699418

Cc1cc2ccc(CCC3CCCC3)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.44
CYP3A4 P08684 1/20 0.43
KCNH2 Q12809 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
PPARA Q07869 1/20 0.34
TBK1 Q9UHD2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
P2RX3 P56373 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL1699336 0.96 CYP3A4 (0.44) PSIP1CYP3A4KCNH2PTGDR2SLCO1B1
SCHEMBL15165213 0.93 PSIP1 (0.37) PSIP1CYP3A4PTGDR2PPARATBK1
SCHEMBL15165219 0.90 CYP3A4 (0.37) PSIP1CYP3A4KCNH2PTGDR2PPARA
SCHEMBL27903941 0.87 PPARG (0.36) PTGDR2PPARA
SCHEMBL18892111 0.87 KCNH2 (0.32) PSIP1KCNH2PTGDR2ALDH1A1TP53
SCHEMBL1699360 0.86 CYP3A4 (0.43) PSIP1CYP3A4KCNH2PTGDR2SLCO1B1
SCHEMBL1699565 0.85 CYP3A4 (0.46) PSIP1CYP3A4KCNH2PTGDR2SLCO1B1
SCHEMBL1699609 0.85 PSIP1 (0.43) PSIP1CYP3A4KCNH2PTGDR2SLCO1B1
SCHEMBL10271699 0.84 CYP3A4 (0.45) PSIP1CYP3A4PTGDR2
SCHEMBL1699425 0.84 CYP3A4 (0.44) PSIP1CYP3A4KCNH2PTGDR2SLCO1B1

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 PSIP1 3788/4885CYP3A4 2058/4885KCNH2 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.