SCHEMBL3307517

SCHEMBL3307517

COCC1c2sc(C(=O)OC)cc2CCN1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 5/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
RAB9A P51151 4/20 0.39
MAPK1 P28482 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
ATM Q13315 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HDAC6 Q9UBN7 2/20 0.37
KCNN2 Q9H2S1 4/20 0.35
KCNN3 Q9UGI6 4/20 0.35
KCNN1 Q92952 2/20 0.35
TSHR P16473 5/20 0.34
HSD17B10 Q99714 4/20 0.34
CYP1A2 P05177 3/20 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
SCHEMBL3303694 0.91 KDM4E (0.36) KDM4EALDH1A1MAPK1GLAKCNN2
SCHEMBL4432793 0.81 KCNN2 (0.34) KDM4EALDH1A1SMN1; SMN2KCNN2KCNN3
SCHEMBL13372740 0.79 KCNN2 (0.34) KDM4EALDH1A1MAPK1KCNN2KCNN3
SCHEMBL3305816 0.78 KCNN2 (0.39) KDM4EALDH1A1MAPK1KCNN2KCNN3
SCHEMBL3308515 0.75 ALDH1A1 (0.42) KDM4EALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL4751950 0.73 ALDH1A1 (0.40) KDM4EALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL3307604 0.72 F10 (0.41)
SCHEMBL13550058 0.72 KDM4E (0.52) KDM4EALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL3309479 0.70 KDM4E (0.54) KDM4EALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL3308910 0.69 MAOA (0.43) KDM4EALDH1A1HPGDGLAMAPT

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 3 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
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 2370/4885ALDH1A1 562/4885HPGD 331/4885

“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.