SCHEMBL2264653

SCHEMBL2264653

COC(=O)c1ccc2c(c1)C(=O)C(C)CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.43
CASP3 P42574 2/20 0.42
SENP7 Q9BQF6 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL12365194 0.85 SMN1; SMN2 (0.42) SMN1; SMN2CA12CA9ALDH1A1ATM
SCHEMBL13384313 0.84 TDP1 (0.47) ALDH1A1POLBCYP19A1PTPRC
SCHEMBL12365664 0.83 RAB9A (0.41) SMN1; SMN2CA12CA9ALDH1A1ATM
SCHEMBL29654008 0.82 MAOB (0.41) SMN1; SMN2CA12CA9ALDH1A1ATM
SCHEMBL22997336 0.82 MAOB (0.41) SMN1; SMN2CA12CA9ALDH1A1ATM
SCHEMBL16744297 0.81 NPC1 (0.44) SMN1; SMN2CA12CA9ALDH1A1ATM
SCHEMBL28857568 0.79 MAOB (0.39) SMN1; SMN2CA12CA9ALDH1A1ATM
SCHEMBL29772131 0.79 MAOB (0.39) SMN1; SMN2CA12CA9ALDH1A1ATM
SCHEMBL14966793 0.78 NPC1 (0.46) SMN1; SMN2CA12CA9ALDH1A1ATM
SCHEMBL12180409 0.78 SMN1; SMN2 (0.48) SMN1; SMN2CA12CA9ALDH1A1ATM

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E SMN1; SMN2 3728/4885CA12 4696/4885CA9 3894/4885

“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.