SCHEMBL6505327

SCHEMBL6505327

COC(=O)c1ccc(F)c(N2CCC(OS(C)(=O)=O)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
NPC1 O15118 3/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
WDR5 P61964 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 2/20 0.39
TTR P02766 2/20 0.39

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
SCHEMBL383256 0.91 ALDH1A1 (0.51) KDM4EALDH1A1NPC1HPGDMAPT
SCHEMBL6508563 0.85 KDM4E (0.54) KDM4EALDH1A1NPC1HPGDMAPT
SCHEMBL383646 0.85 MAPT (0.52) KDM4EALDH1A1NPC1HPGDMAPT
SCHEMBL382089 0.84 MAPT (0.51) KDM4EALDH1A1NPC1HPGDMAPT
SCHEMBL6500337 0.82 KDM4E (0.56) KDM4EALDH1A1NPC1HPGDMAPT
SCHEMBL15710623 0.81 FFAR1 (0.50) MAPTSMN1; SMN2TSHRLMNAFFAR4
SCHEMBL6499902 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL6503624 0.79 NPY5R (0.43) KDM4EALDH1A1NPC1HPGDMAPT
SCHEMBL382523 0.78 MAPT (0.41) KDM4EALDH1A1NPC1HPGDMAPT
SCHEMBL30014756 0.76 KDM4E (0.49) KDM4EALDH1A1NPC1HPGDMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 EP 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 KDM4E 945/4885ALDH1A1 1967/4885NPC1 3633/4885

“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.