Sugi Predict

Sugi Predict / Compounds / SCHEMBL13314745

SCHEMBL13314745

SCHEMBL13314745

CC(C)c1ccc(OCc2c[nH]cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7988365 0.83 MEN1 (0.48) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL13359943 0.81 NPC1 (0.47) RAB9ANPC1KDM4ELMNAHTT
SCHEMBL4427549 0.78 KCNH2 (0.55) RAB9ANPC1SMN1; SMN2MAPTGRM5
SCHEMBL24302649 0.77 RXRA (0.35) RXRAMRGPRX4KMT2AMEN1KDM4E
SCHEMBL222797 0.74 MRGPRX4 (0.43) MRGPRX4KMT2AMEN1RAB9ANPC1
SCHEMBL16638704 0.72 KDM4E (0.58) MRGPRX4NPC1KDM4ELMNAHTT
SCHEMBL223970 0.72 NISCH (0.51) KMT2AMEN1LMNASMN1; SMN2L3MBTL1
SCHEMBL11054389 0.72 CYP19A1 (0.31) —
SCHEMBL14348161 0.72 — —
SCHEMBL4382478 0.72 PPARG (0.39) KMT2AMEN1LMNAHTTSMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741345-B2 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. (US) 2010-06-22 — — US disclosed
US-7741345-B2 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. (US) 2010-06-22 — — US disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 — — US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 — — US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 — — US disclosed
US-20090099096-A1 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. 2009-04-16 — — US disclosed
US-20090099096-A1 AZA-peptide protease inhibitors GILEAD SCIENCES, INC. 2009-04-16 — — US 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 (3 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-20090105279-A1 Antiviral protease inhibitors ACE, TMPRSS15, MME RXRA 4737/4885RXRB 4684/4885MRGPRX4 2467/4885
US-20090099096-A1 AZA-peptide protease inhibitors DNPEP, ANPEP, PEPD RXRA 4022/4885RXRB 3596/4885MRGPRX4 1427/4885
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 RXRA 4707/4885RXRB 4666/4885MRGPRX4 2614/4885

“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.