SCHEMBL1699598

SCHEMBL1699598

Cc1cc2cc(O[Si](C(C)C)(C(C)C)C(C)C)ccc2c(-c2ccc(Cl)cc2)c1Br

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ATM Q13315 1/20 0.30
ALOX5 P09917 1/20 0.30
ALOX5AP P20292 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CRHR1 P34998 1/20 0.30
THRB P10828 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL1699568 0.82 CA1 (0.44) MEN1KMT2AMAPTNPSR1CA1
SCHEMBL15165284 0.76 GRM2 (0.37) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1699314 0.74 GAA (0.40) MEN1KMT2AMAPTNPSR1ALOX5
SCHEMBL1702572 0.69 PTGS2 (0.35) MEN1KMT2AMAPTALDH1A1ATM
SCHEMBL198322 0.69 L3MBTL1 (0.41) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL29680237 0.69 TRPA1 (0.31)
SCHEMBL29680425 0.66 MET (0.38)
SCHEMBL282196 0.66 ALDH1A1 (0.41) MAPTALDH1A1
SCHEMBL17205115 0.65 HAO1 (0.44) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL190598 0.65 NCEH1 (0.47) MEN1KMT2AMAPTALDH1A1NPSR1

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 CXCR1 1538/4885MEN1 4061/4885KMT2A 375/4885

“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.