Sugi Predict

Sugi Predict / Compounds / SCHEMBL1699298

SCHEMBL1699298

SCHEMBL1699298

Cc1cc2ccccc2c(Cl)c1[C@@H](COC(=O)C(C)(C)C)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PRKCA P17252 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ CDC25B P30305 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ GBA1 P04062 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ NCEH1 Q6PIU2 1/20 0.30
▸ CDC25A P30304 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
SCHEMBL1699554 1.00 LMNA (0.36) LMNASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL1699553 1.00 LMNA (0.36) LMNASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL15093237 0.90 LMNA (0.34) LMNASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL15093184 0.89 LMNA (0.33) LMNASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL15153915 0.86 NPC1 (0.36) LMNAKDM4EALDH1A1GLAKMT2A
SCHEMBL1699451 0.86 NPC1 (0.36) LMNAKDM4EALDH1A1GLAKMT2A
SCHEMBL1699430 0.86 NPC1 (0.36) LMNAKDM4EALDH1A1GLAKMT2A
SCHEMBL15153899 0.85 KDM4E (0.37) LMNASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL15153900 0.85 KDM4E (0.37) LMNASMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL1699686 0.85 KDM4E (0.37) LMNASMN1; SMN2KDM4EALDH1A1GLA

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 9 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-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 LMNA 710/4885SMN1; SMN2 2881/4885KDM4E 2251/4885

“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.