SCHEMBL5031785

SCHEMBL5031785

CCOc1ccc(Cc2c(C)n(C(C)C)[nH]c2=O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 0.38
P2RX7 Q99572 2/20 0.35
LTA4H P09960 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
KDM1A O60341 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
SLC5A2 P31639 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5028718 0.87 P2RX3 (0.43) P2RX3
SCHEMBL14626457 0.78 ALDH1A1 (0.39) P2RX3ALDH1A1LMNASMN1; SMN2
SCHEMBL14285916 0.77 ALDH1A1 (0.40) P2RX3KDM1AALDH1A1LMNASMN1; SMN2
SCHEMBL5033114 0.77 HSD17B10 (0.36) P2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL4593622 0.76 ALDH1A1 (0.45) GPR52KDM1AALDH1A1LMNASMN1; SMN2
SCHEMBL5035229 0.75 ALDH1A1 (0.38) P2RX3KDM1AALDH1A1LMNASMN1; SMN2
SCHEMBL5035227 0.73 MEN1 (0.36) ALDH1A1
SCHEMBL2378250 0.72 MAPT (0.52) P2RX3ALDH1A1LMNASLC5A2MAPK1
SCHEMBL14285953 0.71 SLC5A2 (0.41) P2RX3P2RX7GPR52KDM1ASLC5A2
SCHEMBL5030951 0.71 TAAR1 (0.39) ALDH1A1LMNASMN1; SMN2

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-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
US-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes AJINOMOTO CO., INC. (JP) 2008-01-24 US disclosed
WO-2007010015-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 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-20080020987-A1 Processes for preparing pyrazole-O-glycoside derivatives and novel intermediates of said processes CYP4B1, CYP1B1, CYP11B1 P2RX3 713/4885P2RX7 111/4885LTA4H 1434/4885

“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.