Sugi Predict

Sugi Predict / Compounds / SCHEMBL414994

SCHEMBL414994

SCHEMBL414994

CC(C)(C)c1ccc(-c2nnc(S)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.64
▸ RAB9A P51151 6/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ S1PR1 P21453 2/20 0.54
▸ NR1H4 Q96RI1 1/20 0.50
▸ EGFR P00533 1/20 0.49
▸ NOTUM Q6P988 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ IKBKB O14920 2/20 0.44
▸ S1PR4 O95977 1/20 0.43
▸ S1PR5 Q9H228 1/20 0.43
▸ KIF11 P52732 2/20 0.42
▸ GFER P55789 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2623780 0.86 NPC1 (0.75) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL3293191 0.86 NPC1 (0.75) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL21434662 0.86 NPC1 (0.47) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL6296907 0.84 NPC1 (0.72) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL1104799 0.84 NPC1 (0.72) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL25101279 0.81 NPC1 (0.42) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL6296345 0.81 NPC1 (0.55) NPC1RAB9AKDM4ENOTUMTP53
SCHEMBL12427246 0.81 NPC1 (0.68) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL460873 0.81 NPC1 (0.68) NPC1RAB9AKDM4ES1PR1NR1H4
SCHEMBL10035781 0.79 NPC1 (0.66) NPC1RAB9AKDM4ES1PR1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 — — US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 — — US claimed
CN-114481172-A Electrochemical preparation method of (Z) -2-vinyl thio-oxadiazole compound 华南理工大学 2022-05-13 — — CN disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 — — US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 — — US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 — — US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 — — US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 — — US disclosed
US-20080160452-A1 Developer for light sensitive planographic printing plate material and manufacturing process of planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 — — US disclosed
US-20080160452-A1 Developer for light sensitive planographic printing plate material and manufacturing process of planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 — — 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 (6 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NPC1 4398/4885RAB9A 872/4885KDM4E 1662/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NPC1 4727/4885RAB9A 944/4885KDM4E 1409/4885
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 NPC1 3435/4885RAB9A 100/4885KDM4E 2054/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 NPC1 3435/4885RAB9A 100/4885KDM4E 2054/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NPC1 4434/4885RAB9A 860/4885KDM4E 1645/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NPC1 4434/4885RAB9A 860/4885KDM4E 1645/4885

“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.