SCHEMBL2163768

SCHEMBL2163768

CC[C@@](O)(Cc1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KIF11 P52732 1/20 0.41
HAO1 Q9UJM8 1/20 0.39
IDO1 P14902 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
FFAR1 O14842 3/20 0.38
PTPRG P23470 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
PIK3CA P42336 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PDPK1 O15530 1/20 0.38
PNMT P11086 1/20 0.38

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
SCHEMBL2163764 1.00 FDPS (0.51) FDPSTSHRSMN1; SMN2KIF11HAO1
SCHEMBL2164197 0.77 PTPRC (0.37) SMN1; SMN2PTPRGHPGDCYP3A4ALDH1A1
SCHEMBL2164203 0.77 PTPRC (0.37) SMN1; SMN2PTPRGHPGDCYP3A4ALDH1A1
SCHEMBL5343038 0.76 BLM (0.56) TSHRALDH1A1LMNAHTTKMT2A
SCHEMBL9724009 0.76 FDPS (0.46) FDPSTSHRSMN1; SMN2HPGDCYP3A4
SCHEMBL7908936 0.75 SMN1; SMN2 (0.52) FDPSSMN1; SMN2CYP3A4ALDH1A1LMNA
SCHEMBL687447 0.75 SMN1; SMN2 (0.52) FDPSSMN1; SMN2CYP3A4ALDH1A1LMNA
SCHEMBL7908766 0.75 SMN1; SMN2 (0.52) FDPSSMN1; SMN2CYP3A4ALDH1A1LMNA
SCHEMBL9775967 0.75 MAPT (0.64) FDPSTSHRSMN1; SMN2KIF11HAO1
SCHEMBL9422794 0.75 MAPT (0.64) FDPSTSHRSMN1; SMN2KIF11HAO1

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-7985747-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-26 US disclosed
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-7700598-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-20 US disclosed
US-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-09 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 (2 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-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA FDPS 2328/4885TSHR 732/4885SMN1; SMN2 4368/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA FDPS 2328/4885TSHR 732/4885SMN1; SMN2 4368/4885

“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.