SCHEMBL1699585

SCHEMBL1699585

CCOC(=O)C(=O)c1c(C)cc2cc(Br)ccc2c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MEN1 O00255 1/20 0.31
S1PR4 O95977 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL15093441 0.90 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2CES2ACHECES1
SCHEMBL1699559 0.83 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL1699433 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CES2ACHECES1
SCHEMBL15093188 0.80 CES2 (0.35) ALDH1A1SMN1; SMN2CES2ACHECES1
SCHEMBL1699561 0.77 KDM4E (0.40) ALDH1A1SMN1; SMN2CES2ACHECES1
SCHEMBL15165300 0.75 LMNA (0.40) ALDH1A1SMN1; SMN2LMNAMAPK1MEN1
SCHEMBL10272178 0.74
SCHEMBL15099758 0.73 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2CES2ACHECES1
SCHEMBL15093724 0.73 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2CES2ACHECES1
SCHEMBL16657257 0.73 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2CES2ACHECES1

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 ALDH1A1 528/4885SMN1; SMN2 2881/4885CES2 687/4885

“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.