SCHEMBL3310232

SCHEMBL3310232

CN1CCc2cc(C(=O)N3C[C@H](NC(=O)c4ccc(Cl)s4)C[C@H]3C(=O)O)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.46
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
F2 P00734 1/20 0.37
MMP2 P08253 2/20 0.36
ANPEP P15144 1/20 0.36
MCHR1 Q99705 1/20 0.34

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
SCHEMBL14044948 1.00 F10 (0.46) F10LMNAMAPK1KMT2AF2
SCHEMBL4583776 0.97 F10 (0.45) F10LMNAMAPK1KMT2AF2
SCHEMBL8489145 0.97 F10 (0.45) F10LMNAMAPK1KMT2AF2
SCHEMBL3314623 0.94 F10 (0.42) F10LMNAMAPK1KMT2AF2
SCHEMBL14045006 0.92 F10 (0.44) F10LMNAMAPK1KMT2AF2
SCHEMBL13394894 0.92 MMP2 (0.46) F10LMNAMAPK1KMT2AMMP2
SCHEMBL13394931 0.91 F10 (0.44) F10LMNAMAPK1KMT2AF2
SCHEMBL8489431 0.91 F10 (0.44) F10LMNAMAPK1KMT2AF2
SCHEMBL13394885 0.89 MMP2 (0.48) F10LMNAMAPK1KMT2AF2
SCHEMBL13394941 0.88 F10 (0.43) F10LMNAMAPK1KMT2AF2

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 2924/4885LMNA 3711/4885MAPK1 2494/4885

“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.