SCHEMBL6498548

SCHEMBL6498548

CC(C)(C)N(OC(=O)CCNC(=O)c1cccc(N2CC[C@@H](O)[C@H](Nc3ncccn3)C2)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CHRM4 P08173 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
DRD4 P21917 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASR P41180 2/20 0.32
AKR1C3 P42330 1/20 0.32

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
SCHEMBL6509189 0.92 KMT2A (0.34) KDM4EHTTPDGFRBKDRL3MBTL1
SCHEMBL6499244 0.89 CNR1 (0.38) KDM4EHTTPDGFRBKDRCHRM4
SCHEMBL6496599 0.88 ITGB3 (0.40) KDM4EHTTPDGFRBKDRRAB9A
SCHEMBL6501575 0.88 ITGB3 (0.40) KDM4EHTTPDGFRBKDRRAB9A
SCHEMBL6504442 0.85 LMNA (0.40) CHRM4ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7050609 0.84 KAT6A (0.38) CCR2KDM4EHTTL3MBTL1ALDH1A1
SCHEMBL383252 0.84 CASR (0.42) KDM4EHTTALDH1A1CASR
SCHEMBL383350 0.84 CASR (0.42) KDM4EHTTALDH1A1CASR
SCHEMBL6500365 0.83 KDM4E (0.48) KDM4EHTTPDGFRBKDRALDH1A1
SCHEMBL383158 0.82 ITGB3 (0.44) KDM4EHTTALDH1A1NPC1RAB9A

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 claimed
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 CCR2 240/4885KDM4E 945/4885HTT 4605/4885

“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.