SCHEMBL3303694

SCHEMBL3303694

COCC1c2sc(C(=O)O)cc2CCN1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
ALDH1A1 P00352 3/20 0.36
DAO P14920 1/20 0.36
NOTUM Q6P988 2/20 0.36
KCNN2 Q9H2S1 4/20 0.36
KCNN3 Q9UGI6 4/20 0.36
KCNN1 Q92952 2/20 0.36
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3307517 0.91 KDM4E (0.40) KDM4EGLAALDH1A1KCNN2KCNN3
SCHEMBL13372740 0.82 KCNN2 (0.34) KDM4EALDH1A1KCNN2KCNN3KCNN1
SCHEMBL4432793 0.79 KCNN2 (0.34) KDM4EALDH1A1KCNN2KCNN3KCNN1
SCHEMBL3305816 0.79 KCNN2 (0.39) KDM4EALDH1A1KCNN2KCNN3KCNN1
SCHEMBL3308872 0.78 MAOA (0.43) KDM4EGLAALDH1A1DAONOTUM
SCHEMBL3308910 0.78 MAOA (0.43) KDM4EGLAALDH1A1DAONOTUM
SCHEMBL4748891 0.73 KDM4E (0.37) KDM4EGLAALDH1A1DAONOTUM
SCHEMBL4748892 0.73 KDM4E (0.37) KDM4EGLAALDH1A1DAONOTUM
SCHEMBL3304805 0.71 ALDH1A1 (0.41) KDM4EGLAALDH1A1DAONOTUM
SCHEMBL3307604 0.71 F10 (0.41)

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
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
EP-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP 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
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 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 (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 KDM4E 2370/4885GLA 2997/4885ALDH1A1 562/4885

“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.