SCHEMBL3589138

SCHEMBL3589138

CCOC(=O)Cn1c(C)cn(CC)c1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 5/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
PIN1 Q13526 1/20 0.43
PIN4 Q9Y237 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ELANE P08246 1/20 0.41
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL3591763 0.81 KDM4E (0.42) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL24666581 0.75 ALDH1A1 (0.48) ALDH1A1GSK3AGSK3BRAB9AKDM4E
SCHEMBL1988320 0.73 ALDH1A1 (0.66) ALDH1A1GSK3AGSK3BRAB9AKDM4E
SCHEMBL2828050 0.72 KDM4E (0.54) ALDH1A1GSK3AGSK3BRAB9AKDM4E
SCHEMBL3576407 0.71 POLB (0.46) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL3582007 0.71 ALDH1A1 (0.39) ALDH1A1GSK3AGSK3BKDM4EPOLB
SCHEMBL7225592 0.70 ALDH1A1 (0.46) ALDH1A1GSK3AGSK3BRAB9AKDM4E
SCHEMBL12709665 0.69 ALDH1A1 (0.60) ALDH1A1GSK3AGSK3BRAB9AKDM4E
SCHEMBL2827984 0.69 ALDH1A1 (0.59) ALDH1A1GSK3AGSK3BRAB9AKDM4E
SCHEMBL1005981 0.68 ALDH1A1 (0.58) ALDH1A1GSK3AGSK3BRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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 (1 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 ALDH1A1 971/4885GSK3A 1146/4885GSK3B 956/4885

“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.