SCHEMBL3308872

SCHEMBL3308872

CC1c2sc(C(=O)O)cc2CCN1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.43
ALDH1A1 P00352 5/20 0.41
DAO P14920 3/20 0.41
NOTUM Q6P988 6/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL3308910 1.00 MAOA (0.43) MAOAALDH1A1DAONOTUMKDM4E
SCHEMBL3304805 0.81 ALDH1A1 (0.41) ALDH1A1DAONOTUMKDM4EHPGD
SCHEMBL4428221 0.78 MAOA (0.40) MAOAALDH1A1
SCHEMBL3303694 0.78 KDM4E (0.36) ALDH1A1DAONOTUMKDM4ELMNA
SCHEMBL8021428 0.74 MAOA (0.44) MAOAALDH1A1KDM4EHPGDGLA
SCHEMBL3308280 0.74 MAOA (0.44) MAOAALDH1A1KDM4EHPGDGLA
SCHEMBL13372899 0.73 MAOA (0.39) MAOAALDH1A1HPGDLMNA
SCHEMBL4748892 0.73 KDM4E (0.37) ALDH1A1DAONOTUMKDM4EHPGD
SCHEMBL4748891 0.73 KDM4E (0.37) ALDH1A1DAONOTUMKDM4EHPGD
SCHEMBL3309101 0.71 ALDH1A1 (0.64) ALDH1A1DAONOTUMKDM4EHPGD

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 MAOA 856/4885ALDH1A1 562/4885DAO 150/4885

“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.