SCHEMBL10271689

SCHEMBL10271689

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
KMT2A Q03164 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.37
CDC25B P30305 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
CASP3 P42574 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APAF1 O14727 1/20 0.35
CASP6 P55212 1/20 0.35
SENP8 Q96LD8 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL1699658 0.87 ADORA3 (0.42) KDM4EKMT2AL3MBTL1MAPK1SMN1; SMN2
SCHEMBL1699271 0.86 PSIP1 (0.39) SMN1; SMN2LMNAALDH1A1
SCHEMBL1699348 0.86 PSIP1 (0.39) SMN1; SMN2LMNAALDH1A1
SCHEMBL10271691 0.85 CYP3A4 (0.39) KDM4EKMT2AL3MBTL1MAPK1SMN1; SMN2
SCHEMBL1699637 0.79 ALDH1A1 (0.37) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL10271716 0.79 HSD17B10 (0.35) KDM4EKMT2AL3MBTL1MAPK1SMN1; SMN2
SCHEMBL1699706 0.79 HSD17B10 (0.35) KDM4EKMT2AL3MBTL1MAPK1SMN1; SMN2
SCHEMBL1699553 0.78 LMNA (0.36) KDM4EKMT2AL3MBTL1MAPK1SMN1; SMN2
SCHEMBL1699298 0.78 LMNA (0.36) KDM4EKMT2AL3MBTL1MAPK1SMN1; SMN2
SCHEMBL1699554 0.78 LMNA (0.36) KDM4EKMT2AL3MBTL1MAPK1SMN1; SMN2

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 KDM4E 2251/4885KMT2A 375/4885L3MBTL1 4008/4885

“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.