SCHEMBL3307560

SCHEMBL3307560

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.46
MAPK1 P28482 1/20 0.41
F2 P00734 1/20 0.39
KMT2A Q03164 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
SCHEMBL3308716 0.85 F10 (0.47) F10MAPK1KMT2A
SCHEMBL3309110 0.84 F10 (0.41) F10MAPK1F2KMT2A
SCHEMBL3306403 0.84 MAPK1 (0.47) F10MAPK1KMT2A
SCHEMBL3305479 0.81 F10 (0.41) F10MAPK1F2KMT2A
SCHEMBL3304020 0.81 F10 (0.40) F10MAPK1F2KMT2A
SCHEMBL3309070 0.81 F10 (0.42) F10MAPK1F2KMT2A
SCHEMBL3310191 0.80 F10 (0.44) F10MAPK1KMT2A
SCHEMBL4438714 0.79 F10 (0.43) F10MAPK1
SCHEMBL3314611 0.78 F10 (0.45) F10MAPK1F2KMT2A
SCHEMBL3448349 0.73 F10 (0.43) F10MAPK1F2

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 2924/4885MAPK1 2494/4885F2 820/4885

“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.