Sugi Predict

Sugi Predict / Compounds / SCHEMBL930802

SCHEMBL930802

SCHEMBL930802

COc1cccc(-c2cccc([C@]34C[C@H](OC)C[C@H]3CSC(NC(=O)c3ccccc3)=N4)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 1/20 0.43
▸ BACE1 P56817 4/20 0.43
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ FABP1 P07148 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL932862 0.91 BACE1 (0.40) HDAC2BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL934002 0.91 HDAC2 (0.43) HDAC2BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL932788 0.91 HDAC2 (0.43) HDAC2BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL12851727 0.90 BACE1 (0.41) HDAC2BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL945229 0.90 BACE1 (0.41) HDAC2BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL18192878 0.89 BACE1 (0.44) BACE1KCNH2ADORA3
SCHEMBL18192915 0.86 BACE1 (0.40) BACE1KCNH2
SCHEMBL18192903 0.86 BACE1 (0.45) BACE1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL18192901 0.81 BACE1 (0.43) BACE1KCNH2
SCHEMBL18192932 0.81 BACE1 (0.43) BACE1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 — — EP disclosed
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 — — EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 — — US disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 — — US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 — — US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 — — US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 — — US disclosed
EP-2451793-A1 BACE INHIBITORS Eli Lilly and Company (US) 2012-05-16 — — EP disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 — — US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 — — US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 — — US disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 — — WO disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 — — 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 (2 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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP HDAC2 1981/4885BACE1 1/4885NPC1 13/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP HDAC2 1981/4885BACE1 1/4885NPC1 13/4885

“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.