SCHEMBL3589998

SCHEMBL3589998

COC(=O)Cn1cc(C)nc1S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
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
Hydrochloric Acid SCHEMBL3580689 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL2970537 0.79 GAA (0.41) GAASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL13072296 0.76 GAA (0.40) GAASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL3596407 0.74 GAA (0.38) GAASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL3581846 0.74 SMN1; SMN2 (0.39) GAAATMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL15724295 0.72 KDM4E (0.37) GAASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL18518478 0.67 CASP3 (0.45) GAAALDH1A1MAPTLMNAHTT
SCHEMBL27174884 0.66 GAA (0.36) GAAATMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3580596 0.66 GAA (0.38) GAASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL5983810 0.65 SMN1; SMN2 (0.38) GAASMN1; SMN2ALDH1A1KDM4EPOLB

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 1 patent. 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

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 GAA 4433/4885ATM 3884/4885SMN1; SMN2 4711/4885

“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.