SCHEMBL3307885

SCHEMBL3307885

C[C@@H]1Cc2cc(C(=O)O)ccc2C(=O)N1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 1/20 0.46
POLB P06746 4/20 0.43
SRD5A2 P31213 5/20 0.42
SRD5A1 P18405 4/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL3307888 1.00 ALDH1A1 (0.47) ALDH1A1TDP1POLBSRD5A2SRD5A1
SCHEMBL4441925 0.79 HTR2A (0.38) ALDH1A1AKR1C3KDM4ETSHR
SCHEMBL25452840 0.78 HTR2A (0.49) SRD5A1
SCHEMBL3303931 0.77 METAP1 (0.44) SRD5A2SRD5A1KMT2A
SCHEMBL3303935 0.77 METAP1 (0.44) SRD5A2SRD5A1KMT2A
SCHEMBL3300861 0.76 TDP1 (0.48) ALDH1A1TDP1POLBSRD5A2SRD5A1
SCHEMBL3300853 0.76 TDP1 (0.48) ALDH1A1TDP1POLBSRD5A2SRD5A1
SCHEMBL10908324 0.75 ACHE (0.51) ALDH1A1TDP1SRD5A2SRD5A1
SCHEMBL24742783 0.75 POLB (0.47) ALDH1A1POLBSRD5A2SRD5A1KMT2A
SCHEMBL30420549 0.73 GRM5 (0.56) ALDH1A1POLBSRD5A2SRD5A1KMT2A

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
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
WO-2008135524-A2 SUBSTITUTED ANTHRANILAMIDES AND ANALOGUES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS 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 ALDH1A1 562/4885TDP1 434/4885POLB 1082/4885

“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.