SCHEMBL3309101

SCHEMBL3309101

CN1CCc2cc(C(=O)O)sc2CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
DAO P14920 1/20 0.64
HPGD P15428 4/20 0.44
POLB P06746 2/20 0.44
PKM P14618 2/20 0.44
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC6 Q9UBN7 3/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NR4A1 P22736 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
ESR2 Q92731 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
WDR91 A4D1P6 1/20 0.41
CYP1A2 P05177 3/20 0.41

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
SCHEMBL2761887 0.90 ALDH1A1 (0.56) ALDH1A1DAOHPGDHDAC6PRMT5
SCHEMBL3313449 0.90 ALDH1A1 (0.56) ALDH1A1DAOHPGDHDAC6PRMT5
SCHEMBL742974 0.89 ALDH1A1 (0.54) ALDH1A1DAOHPGDHDAC6PRMT5
SCHEMBL3309479 0.85 KDM4E (0.54) ALDH1A1DAOHPGDPOLBPKM
SCHEMBL11184738 0.84 ALDH1A1 (0.57) ALDH1A1DAOHPGDPOLBPKM
SCHEMBL11180672 0.80 ALDH1A1 (0.49) ALDH1A1DAOPKMPRMT5WDR77
SCHEMBL11180673 0.79 ALDH1A1 (0.51) ALDH1A1DAOHPGDMAPK1HDAC6
SCHEMBL11173311 0.79 L3MBTL1 (0.50) ALDH1A1HPGDPOLBTP53MAPK1
SCHEMBL8558763 0.78 ALDH1A1 (0.50) ALDH1A1DAOHPGDHDAC6ESR2
SCHEMBL2954334 0.78 DAO (1.00) ALDH1A1DAOHPGDPOLBPKM

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 7 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
EP-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP 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 ALDH1A1 562/4885DAO 150/4885HPGD 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.