SCHEMBL3309110

SCHEMBL3309110

NC[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)CN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.38
GSK3B P49841 1/20 0.38
F2 P00734 1/20 0.37

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
SCHEMBL3308716 0.89 F10 (0.47) F10SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3306403 0.85 MAPK1 (0.47) F10SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3307560 0.84 F10 (0.46) F10KMT2AMAPK1F2
SCHEMBL3447699 0.84 F10 (0.39) F10SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3305479 0.83 F10 (0.41) F10SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3309070 0.82 F10 (0.42) F10SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3304020 0.80 F10 (0.40) F10KMT2AMAPK1LMNAF2
SCHEMBL4488165 0.78 F10 (0.41) F10SMN1; SMN2KMT2AMEN1GAA
SCHEMBL3314611 0.77 F10 (0.45) F10SMN1; SMN2KMT2AMEN1GAA
SCHEMBL4442146 0.76 F10 (0.38) F10SMN1; SMN2KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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 (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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD F10 2924/4885SMN1; SMN2 2237/4885KMT2A 2818/4885

“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.