Sugi Predict

Sugi Predict / Compounds / SCHEMBL1699641

SCHEMBL1699641

SCHEMBL1699641

COC(=O)C(O[Si](C)(C)C(C)(C)C)c1c(C)c(Br)c2ccccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.35
▸ TACR3 P29371 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ PLA2G2A P14555 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDR P35968 1/20 0.31

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
SCHEMBL1699521 0.90 CYP3A4 (0.40) ERAP1CYP3A4KMT2AMEN1TP53
SCHEMBL1699651 0.86 CYP3A4 (0.39) ERAP1TACR3CYP3A4KMT2AMEN1
SCHEMBL1699582 0.81 GRM5 (0.31) ERAP1GRM5
SCHEMBL1699757 0.80 SLC6A4 (0.36) ERAP1TACR3KMT2AMEN1TP53
SCHEMBL1699579 0.80 SLC6A4 (0.36) ERAP1TACR3KMT2AMEN1TP53
SCHEMBL1699629 0.80 SLC6A4 (0.36) ERAP1TACR3KMT2AMEN1TP53
SCHEMBL1701919 0.79 — —
SCHEMBL1699586 0.77 CYP3A4 (0.49) ERAP1CYP3A4KMT2AGRM5HSP90AA1
SCHEMBL15165269 0.77 CYP3A4 (0.41) ERAP1CYP3A4KMT2AMEN1TP53
SCHEMBL1699725 0.77 CYP3A4 (0.49) ERAP1CYP3A4KMT2AGRM5HSP90AA1

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 10 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
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-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
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 ERAP1 1960/4885TACR3 3497/4885CYP3A4 2058/4885

“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.