SCHEMBL5799004

SCHEMBL5799004

CC(NC(=O)N1CCC2(CC1)C(=O)N(Cc1ccccc1)CN2c1ccccc1)C(NC(=O)c1c(F)cccc1F)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.50
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
OPRL1 P41146 3/20 0.41
BDKRB2 P30411 1/20 0.41
NPC1L1 Q9UHC9 1/20 0.40

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
SCHEMBL5802411 0.91 ENPP2 (0.46) ENPP2MEN1TP53CYP1A2CYP3A4
SCHEMBL5799989 0.89 ENPP2 (0.44) ENPP2MEN1TP53CYP1A2CYP3A4
SCHEMBL5799178 0.88 ENPP2 (0.43) ENPP2MEN1TP53CYP1A2CYP3A4
SCHEMBL5783185 0.85 ITGA4 (0.46) ENPP2MEN1TP53CYP1A2CYP3A4
SCHEMBL5800911 0.83 NPC1L1 (0.49) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL5803270 0.83 OPRM1 (0.46) ENPP2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6474755 0.83 ENPP2 (0.44) ENPP2MEN1TP53CYP1A2CYP3A4
SCHEMBL5801972 0.82 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5802331 0.82 BDKRB2 (0.47) ENPP2MEN1TP53CYP1A2CYP3A4
SCHEMBL5799770 0.81 OPRM1 (0.41) ENPP2MEN1TP53CYP1A2CYP3A4

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
EP-1329451-B1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES (JP) 2006-08-23 EP disclosed
US-6919349-B2 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES, INC. (JP) 2005-07-19 US disclosed
US-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient TORAY INDUSTRIES INC. (JP) 2004-05-06 US disclosed
EP-1329451-A1 SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-23 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-20040087574-A1 Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient VCAM1, ICAM1, SELL ENPP2 1140/4885MEN1 3446/4885TP53 4035/4885

“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.