SCHEMBL903959

SCHEMBL903959

COC(=O)C(Sc1cccc(F)c1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 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
SCHEMBL7367263 0.81 KMT2A (0.47) MTNR1AMTNR1BLMNAL3MBTL1MEN1
SCHEMBL3783064 0.72 CYP2C9 (0.47) HPGDHSD17B10RAB9AALDH1A1LMNA
SCHEMBL17290574 0.71 HDAC4 (0.49) KDM4ERAB9ANPC1ALDH1A1LMNA
SCHEMBL15290689 0.70 PTGS1 (0.60) KDM4EALDH1A1LMNAKMT2AHDAC4
SCHEMBL30832115 0.70 PTGS1 (0.60) KDM4EALDH1A1LMNAKMT2AHDAC4
SCHEMBL903865 0.70 NPC1 (0.46) KDM4EHPGDRAB9ANPC1ALDH1A1
SCHEMBL12694091 0.69 ITGB3 (0.49) HSD17B10RAB9ANPC1ALDH1A1LMNA
SCHEMBL6989407 0.69 CES2 (0.45) EPHX1MEN1KMT2AGAACES2
SCHEMBL28471244 0.68 HDAC4 (0.53) KDM4ERAB9ANPC1ALDH1A1LMNA
SCHEMBL2669681 0.68 EPHX1 (0.47) EPHX1CES2CES1

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-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
WO-2012041817-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-05 WO disclosed
WO-2000024722-A1 2,3-DIHYDRO-4-OXO-4H-1,3-OXAZINE AND 2-OXO-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS CROPSCIENCE S.A. (FR) 2000-05-04 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-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR5, CCR1 EPHX1 741/4885MTNR1A 589/4885MTNR1B 580/4885

“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.