Sugi Predict

Sugi Predict / Compounds / SCHEMBL10173049

SCHEMBL10173049

SCHEMBL10173049

CC1(C)OB(c2ccc(-c3nc4cc(B5OC(C)(C)C(C)(C)O5)ccc4o3)cc2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.51
▸ RAB9A P51151 9/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ HPGD P15428 4/20 0.51
▸ TP53 P04637 4/20 0.51
▸ HSD17B10 Q99714 4/20 0.51
▸ LPL P06858 6/20 0.48
▸ LIPG Q9Y5X9 6/20 0.48
▸ GFER P55789 2/20 0.48
▸ RXFP1 Q9HBX9 2/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ NFKB1 P19838 3/20 0.47
▸ NFKB2 Q00653 3/20 0.47
▸ RELA Q04206 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47

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
SCHEMBL19057477 0.92 SMN1; SMN2 (0.56) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3262084 0.92 NPC1 (0.57) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4158547 0.89 RAB9A (0.65) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL14243217 0.89 HDAC3 (0.51) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL357472 0.86 LPL (0.55) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL27361861 0.85 LPL (0.58) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23079753 0.84 LPL (0.58) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30402365 0.84 TSHR (0.62) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23606558 0.84 SMN1; SMN2 (0.52) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17544288 0.84 TSHR (0.62) NPC1RAB9AKDM4EALDH1A1SMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 — — US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 — — US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 — — US disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 — — US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 — — US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 — — US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 — — US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 — — US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 — — US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 — — US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 — — US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 — — US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 — — US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 — — 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 (8 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-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 NPC1 141/4885RAB9A 1863/4885KDM4E 3780/4885

“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.