Sugi Predict

Sugi Predict / Compounds / SCHEMBL764383

SCHEMBL764383

SCHEMBL764383

O=C1OC[C@H](c2ccccc2)N2C([C@@H]3C=C4OCCOC4=CC3)O[C@H](c3ccc4c(c3)OCCO4)C12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HDAC4 P56524 1/20 0.33
▸ STING1 Q86WV6 12/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ TERT O14746 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ BRAF P15056 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
SCHEMBL763256 1.00 NPC1 (0.34) NPC1RAB9AHDAC4STING1PTGS2
SCHEMBL764381 0.85 RAB9A (0.35) NPC1RAB9AHDAC4STING1PTGS2
SCHEMBL761670 0.79 RAB9A (0.43) NPC1RAB9AHDAC4STING1PTGS2
SCHEMBL761654 0.79 RAB9A (0.43) NPC1RAB9AHDAC4STING1PTGS2
SCHEMBL17558083 0.79 RAB9A (0.43) NPC1RAB9AHDAC4STING1PTGS2
SCHEMBL19997585 0.79 RAB9A (0.43) NPC1RAB9AHDAC4STING1PTGS2
SCHEMBL1755657 0.79 RAB9A (0.40) NPC1RAB9AHDAC4STING1PTGS2
SCHEMBL19997586 0.79 RAB9A (0.43) NPC1RAB9AHDAC4STING1PTGS2
SCHEMBL19632888 0.72 TSHR (0.42) NPC1RAB9AHDAC4STING1PTGS2
SCHEMBL17558067 0.72 TSHR (0.42) NPC1RAB9APTGS2TSHRKDM4E

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
US-8138353-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2012-03-20 — — US disclosed
US-20110003987-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS GENZYME CORPORATION 2011-01-06 — — US disclosed
US-7763738-B2 Synthesis of UDP-glucose: N-acylsphingosine glucosyltransferase inhibitors GENZYME CORPORATION (US) 2010-07-27 — — US disclosed
US-20080058514-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS HIRTH BRADFORD H 2008-03-06 — — US disclosed
US-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents GENZYME CORPORATION 2003-03-13 — — 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-20110003987-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 NPC1 137/4885RAB9A 1520/4885HDAC4 2429/4885
US-20080058514-A1 SYNTHESIS OF UDP-GLUCOSE: N-ACYLSPHINGOSINE GLUCOSYLTRANSFERASE INHIBITORS UGCG, UGGT1, DPAGT1 NPC1 137/4885RAB9A 1520/4885HDAC4 2429/4885
US-20030050299-A1 An intermediates for enantiomeric synthesis cermamide-like inhibitors; producing antilipemic agents UGCG, UGGT1, LCLAT1 NPC1 135/4885RAB9A 1367/4885HDAC4 2777/4885

“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.