SCHEMBL13031340

SCHEMBL13031340

COOSc1nccn1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 2/20 0.38
FPR2 P25090 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL13031333 0.87 GFER (0.40) SMN1; SMN2NPC1RAB9AGFERALDH1A1
SCHEMBL12605880 0.80 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL11736157 0.79 GFER (0.56) SMN1; SMN2NPC1RAB9AGFERALDH1A1
Hydrochloric Acid SCHEMBL3586167 0.78 GFER (0.55) SMN1; SMN2NPC1RAB9AGFERALDH1A1
SCHEMBL13031189 0.75 ALDH1A1 (0.36) NPC1ALDH1A1KMT2ATSHRPTGS2
SCHEMBL14156258 0.73 SMN1; SMN2 (0.42) SMN1; SMN2GFERALDH1A1FPR2MEN1
SCHEMBL369240 0.70 ALPL (0.54) SMN1; SMN2GFERALDH1A1KMT2A
SCHEMBL3594313 0.69 GFER (0.56) SMN1; SMN2NPC1RAB9AGFERALDH1A1
Hydrochloric Acid SCHEMBL28835895 0.68 ALPL (0.55) SMN1; SMN2GFERALDH1A1KMT2A
SCHEMBL28938190 0.68 ALPL (0.53) SMN1; SMN2GFERALDH1A1KMT2A

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 SMN1; SMN2 4711/4885NPC1 1365/4885RAB9A 2780/4885

“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.