SCHEMBL12879321

SCHEMBL12879321

N[C@H](CNC(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
SLC1A3 P43003 1/20 0.53
SLC1A1 P43005 1/20 0.53
HTT P42858 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
PLAU P00749 1/20 0.49
SYK P43405 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.47
GFER P55789 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL7426643 1.00 LMNA (0.55) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL5019077 0.86 LMNA (0.59) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL7431205 0.85 SLC1A3 (0.64) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL10705141 0.83 SLC1A1 (0.65) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL29398484 0.83 SLC1A3 (0.58) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL7375139 0.83 SLC1A1 (0.65) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL4431806 0.83 LMNA (0.56) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL15317909 0.83 SMN1; SMN2 (0.62) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL13569333 0.83 SMN1; SMN2 (0.62) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL4430839 0.83 LMNA (0.56) LMNASMN1; SMN2SLC1A3SLC1A1HTT

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-1979356-B1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PROD INC (US) 2013-09-18 EP disclosed
US-7884117-B2 Protein kinase inhibitors such as (S)-2-(methylamino)-1-phenylethyl 3-(4-fluorobenzamido)-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate, used for the treatment of abnormal cell growth in mammals; antiproliferative agents PFIZER INC. (US) 2011-02-08 US disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 US disclosed
WO-2007072153-A2 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2007-06-28 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-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 LMNA 3611/4885SMN1; SMN2 1835/4885SLC1A3 2451/4885

“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.