SCHEMBL4138974

SCHEMBL4138974

O=Cc1ccc(N2CCN(C(=O)O)CC2)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ALDH1A3 P47895 3/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SLC6A9 P48067 1/20 0.43

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
SCHEMBL19212190 0.84 ALDH1A3 (0.46) ALDH1A1SMN1; SMN2ALDH1A3GAAMAPT
SCHEMBL17422299 0.83 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAAALOX15KDM4E
SCHEMBL5776815 0.82 ALDH1A3 (0.49) ALDH1A1SMN1; SMN2ALDH1A3GAAMAPT
SCHEMBL30501279 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ALDH1A3MAPTSLC6A9
SCHEMBL632171 0.81 GRM5 (0.59) ALDH1A1SMN1; SMN2GAAALOX15KDM4E
SCHEMBL30479010 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2ALOX15MAPTKMT2A
SCHEMBL355504 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2ALOX15MAPTKMT2A
SCHEMBL29728058 0.81 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2ALDH1A3KDM4EMAPT
SCHEMBL15094164 0.81 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2ALDH1A3KDM4EMAPT
SCHEMBL19137930 0.80 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2ALDH1A3GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 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 (3 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ ALDH1A1 2931/4885SMN1; SMN2 4708/4885ALDH1A3 4337/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ ALDH1A1 2931/4885SMN1; SMN2 4708/4885ALDH1A3 4337/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 ALDH1A1 4008/4885SMN1; SMN2 3089/4885ALDH1A3 3739/4885

“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.