SCHEMBL25977924

SCHEMBL25977924

CNc1ccc(CC(=O)CP(=O)(OC)OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.38
KLK7 P49862 3/20 0.38
ALDH1A1 P00352 3/20 0.37
GLS O94925 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL19558427 0.86 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL15981189 0.82 GLS (0.39) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL10812724 0.82 L3MBTL1 (0.46) NPC1RAB9ALMNAMAPTL3MBTL1
SCHEMBL3970824 0.81 HTT (0.53) SMN1; SMN2TP53L3MBTL1KDM4EKMT2A
SCHEMBL1401007 0.81 HTT (0.43) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL2322779 0.81 ALDH1A1 (0.47) NPC1RAB9AMAPTL3MBTL1KDM4E
SCHEMBL758293 0.80 TSHR (0.47) SMN1; SMN2RAB9ALMNAMAPTL3MBTL1
SCHEMBL2848804 0.79 CYP17A1 (0.49) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL11814078 0.78 GAA (0.51) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL2286242 0.78 CYP4F2 (0.61) SMN1; SMN2NPC1RAB9ATP53LMNA

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-11708371-B2 Process for making beta 3 agonists and intermediates MERCK SHARP & DOHME CORP. (US) 2023-07-25 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-11708371-B2 Process for making beta 3 agonists and intermediates ADRB3, ADRB2, ADRB1 SMN1; SMN2 2205/4885NPC1 4251/4885RAB9A 2300/4885

“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.