SCHEMBL1699562

SCHEMBL1699562

Cc1c(C(OC(C)(C)C)C(=O)O)c(OS(=O)(=O)C(F)(F)F)c2ccccc2c1Br

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.32
CYP3A4 P08684 2/20 0.32
CXCR1 P25024 1/20 0.32
PSIP1 O75475 1/20 0.32

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
SCHEMBL15093533 0.90 CXCR2 (0.34) CXCR2CYP3A4CXCR1PSIP1
SCHEMBL15165315 0.90 MAPT (0.35) CXCR2
SCHEMBL1699726 0.90 MAPT (0.35) CXCR2
SCHEMBL1699711 0.88 CXCR2 (0.33) CXCR2CYP3A4CXCR1PSIP1
SCHEMBL15093729 0.86 CXCR2 (0.36) CXCR2CYP3A4CXCR1PSIP1
SCHEMBL1699634 0.85 CYP3A4 (0.33) CXCR2CYP3A4CXCR1PSIP1
SCHEMBL1699712 0.84 CXCR2 (0.32) CXCR2CXCR1
SCHEMBL15093213 0.82 PSIP1 (0.32) CXCR2CYP3A4CXCR1PSIP1
SCHEMBL15093249 0.82 CXCR2 (0.32) CXCR2CXCR1
SCHEMBL1699508 0.80 PSIP1 (0.35) CXCR2CYP3A4CXCR1PSIP1

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 CXCR2 2468/4885CYP3A4 2058/4885CXCR1 1538/4885

“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.