SCHEMBL3581846

SCHEMBL3581846

COC(=O)Cn1ccnc1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.38
FPR2 P25090 4/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.34
DYRK1A Q13627 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL11738816 0.82 SMN1; SMN2 (0.40) SMN1; SMN2FPR2KMT2AALDH1A1LMNA
SCHEMBL11739171 0.81 CA12 (0.34) SMN1; SMN2ALDH1A1HSD17B10HTT
Hydrochloric Acid SCHEMBL3589853 0.81 SMN1; SMN2 (0.42) SMN1; SMN2FPR2KMT2ALMNA
SCHEMBL2960305 0.77 ALPL (0.50) SMN1; SMN2GAAKMT2AKDM4EALDH1A1
SCHEMBL13010096 0.76 TLR8 (0.45) SMN1; SMN2GAAFPR2KMT2AKDM4E
SCHEMBL13072246 0.75 SMN1; SMN2 (0.39) SMN1; SMN2GAAFPR2KMT2AKDM4E
SCHEMBL14889017 0.74 MAPT (0.37) SMN1; SMN2KMT2AALDH1A1POLB
SCHEMBL3582565 0.74 FPR2 (0.43) SMN1; SMN2GAAFPR2KMT2AKDM4E
SCHEMBL568442 0.74 KMT2A (0.36) KMT2AALDH1A1POLBDYRK1A
SCHEMBL3589998 0.74 GAA (0.40) SMN1; SMN2GAAATMKDM4EALDH1A1

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 2 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
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 SMN1; SMN2 4711/4885GAA 4433/4885FPR2 64/4885

“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.