SCHEMBL1699734

SCHEMBL1699734

CC(=CC(=O)O)Cc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
SRD5A2 P31213 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
EGFR P00533 2/20 0.41
ERBB2 P04626 2/20 0.41
PPARD Q03181 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1699733 1.00 PDPK1 (0.47) PDPK1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL5087205 0.83 CA2 (0.55) KDM4ENPC1SMN1; SMN2LMNA
SCHEMBL3128468 0.83 CA2 (0.55) KDM4ENPC1SMN1; SMN2LMNA
SCHEMBL11316646 0.82 CES1 (0.52) KMT2AMEN1L3MBTL1HPGDSMN1; SMN2
SCHEMBL11316649 0.82 CES1 (0.52) KMT2AMEN1L3MBTL1HPGDSMN1; SMN2
SCHEMBL6178036 0.79 ALDH1A1 (0.57) KMT2AMEN1KDM4ENPC1SMN1; SMN2
SCHEMBL6178039 0.79 ALDH1A1 (0.57) KMT2AMEN1KDM4ENPC1SMN1; SMN2
SCHEMBL1699439 0.78 KMT2A (0.45) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL1699438 0.78 KMT2A (0.45) KMT2AMEN1L3MBTL1KDM4EGLA
SCHEMBL27259340 0.78 IDO1 (0.41) KMT2AMEN1L3MBTL1KDM4EGLA

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 8 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-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 WO 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 (2 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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA PDPK1 1389/4885KMT2A 2999/4885MEN1 4165/4885
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 PDPK1 2624/4885KMT2A 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.