SCHEMBL4683537

SCHEMBL4683537

COc1ccc(Cl)cc1C(CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSA P10619 10/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR1 O14842 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL9228033 0.80 NPSR1 (0.54) CTSANPSR1LMNAALDH1A1MAPT
SCHEMBL6387359 0.80 POLB (0.55) CTSAMEN1KMT2ANPSR1LMNA
SCHEMBL11093885 0.77 HTT (0.47) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL20577005 0.77 TTR (0.48) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL21723363 0.77 HTT (0.47) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL19420118 0.76 EEF2K (0.48) CTSAMEN1KMT2ATDP1FFAR1
SCHEMBL19420103 0.76 EEF2K (0.48) CTSAMEN1KMT2ATDP1FFAR1
SCHEMBL28120098 0.75 HTT (0.45) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL510313 0.75 ALDH1A1 (0.51) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL3451872 0.74 ACHE (0.55) NPSR1ALDH1A1TDP1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257547-B1 1,3-DISUBSTITUTED PYRROLIDINES AS ALPHA-2-ADRENOCEPTOR ANTAGONISTS NOVARTIS AG (CH) 2008-01-23 EP disclosed
US-7012085-B2 1,3 disubstituted pyrrolidines as α-2-adrenoceptor antagonists NOVARTIS AG (CH) 2006-03-14 US disclosed
US-20030008874-A1 1,3 disubstituted pyrrolidines as alpha -2- adrenoceptor antagonists NOVARTIS AG (CH) 2003-01-09 US disclosed
EP-1257547-A1 1,3-DISUBSTITUTED PYRROLIDINES AS ALPHA-2-ADRENOCEPTOR ANTAGONISTS Novartis AG (CH) 2002-11-20 EP disclosed
WO-2001055132-A1 1,3-DISUBSTITUTED PYRROLIDINES AS ALPHA-2-ADRENOCEPTOR ANTAGONISTS NOVARTIS AG (CH) 2001-08-02 WO 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-20030008874-A1 1,3 disubstituted pyrrolidines as alpha -2- adrenoceptor antagonists ADRB2, ADRB1, ADRA1A CTSA 3427/4885MEN1 2704/4885KMT2A 2823/4885

“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.