SCHEMBL10271585

SCHEMBL10271585

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2cc(-c3ccccn3)ccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
PSD A5PKW4 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CNR1 P21554 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HAT1 O14929 2/20 0.35
EP300 Q09472 2/20 0.35
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PSIP1 O75475 1/20 0.33
DHODH Q02127 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 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
SCHEMBL1699320 0.90 CYP3A4 (0.45) PSDCYP3A4CNR1HAT1EP300
SCHEMBL1699330 0.90 CYP3A4 (0.45) PSDCYP3A4CNR1HAT1EP300
SCHEMBL10271703 0.90 CYP3A4 (0.37) LMNACYP3A4ALDH1A1MAPTTDP1
SCHEMBL15165184 0.90 PSD (0.37) PSDCYP3A4CNR1MAPTHAT1
SCHEMBL15165288 0.86 GCGR (0.39) LMNAPSDCYP3A4ALDH1A1MAPT
SCHEMBL10271691 0.85 CYP3A4 (0.39) LMNACYP3A4ALDH1A1MAPTTDP1
SCHEMBL15165289 0.84 PSIP1 (0.39) LMNACYP3A4ALDH1A1MAPTTDP1
SCHEMBL1699300 0.82 CYP3A4 (0.39) LMNACYP3A4ALDH1A1CNR1MAPT
SCHEMBL1699594 0.80 PTGDR2 (0.40) LMNACYP3A4ALDH1A1MAPTTDP1
SCHEMBL27903960 0.80 CYP1A2 (0.40) LMNAALDH1A1CNR1TDP1HAT1

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-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
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 LMNA 710/4885PSD 1796/4885CYP3A4 2058/4885

“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.