SCHEMBL1699727

SCHEMBL1699727

COc1ccc(COC(C(=O)O)c2c(C)cc3cc(Cl)ccc3c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PLA2G2A P14555 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LDHA P00338 1/20 0.37
MAPT P10636 1/20 0.36
DHODH Q02127 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL1699600 0.91 MEN1 (0.40) CCR2KMT2AMEN1PLA2G2AL3MBTL1
SCHEMBL1699478 0.91 CCR2 (0.39) CCR2KMT2AMEN1PLA2G2AL3MBTL1
SCHEMBL1699312 0.90 ALOX15 (0.39) CCR2KMT2AMEN1PLA2G2AL3MBTL1
SCHEMBL1699428 0.78 MAPT (0.39) KMT2AMEN1L3MBTL1KDM4EMAPT
SCHEMBL1699498 0.76 PSEN1 (0.44) KMT2AMEN1L3MBTL1KDM4EMAPT
SCHEMBL15093274 0.76 CYP3A4 (0.41) KMT2AMEN1MAPT
SCHEMBL1699736 0.74 PTPN11 (0.41) KMT2AMEN1KDM4EMAPT
SCHEMBL10272103 0.72 MAPT (0.39) KMT2AMEN1L3MBTL1KDM4EMAPT
SCHEMBL15099740 0.69 ALDH1A1 (0.36) KMT2AMEN1KDM4EMAPT
SCHEMBL1699290 0.69 L3MBTL1 (0.38) KMT2AMEN1L3MBTL1KDM4EMAPT

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 5 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-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

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 CCR2 2173/4885KMT2A 375/4885MEN1 4061/4885

“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.