SCHEMBL1699504

SCHEMBL1699504

COC(=O)[C@@H](OCc1ccc(OC)cc1)c1c(C)cc2cc(Cl)ccc2c1-c1ccc2c3c(ccnc13)CCO2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
P2RX3 P56373 2/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 3/20 0.33
THRB P10828 2/20 0.33
TP53 P04637 2/20 0.33
PTGDR Q13258 1/20 0.33
JAK2 O60674 1/20 0.32
EDNRA P25101 1/20 0.32
FPR1 P21462 1/20 0.30
KDM5A P29375 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15153855 1.00 CYP3A4 (0.45) CYP3A4P2RX3MAOBMAPTTHRB
SCHEMBL1699484 0.85 CYP3A4 (0.59) CYP3A4P2RX3
SCHEMBL15154070 0.85 CYP3A4 (0.59) CYP3A4P2RX3
SCHEMBL15153898 0.85 CYP3A4 (0.59) CYP3A4P2RX3
SCHEMBL1699717 0.84 CYP3A4 (0.49) CYP3A4P2RX3
SCHEMBL15153802 0.84 CYP3A4 (0.49) CYP3A4P2RX3
SCHEMBL1699364 0.79 CYP3A4 (0.69) CYP3A4
SCHEMBL15165312 0.79 CYP3A4 (0.69) CYP3A4
SCHEMBL15165191 0.79 CYP3A4 (0.61) CYP3A4
SCHEMBL10272101 0.78 CYP3A4 (0.61) CYP3A4

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 9 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-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 2058/4885P2RX3 2918/4885MAOB 1391/4885

“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.