SCHEMBL475798

SCHEMBL475798

Cc1csc(C2CCCN2C(=O)c2cc(CF)cc(C(=O)O)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 4/20 0.40
CPT2 P23786 3/20 0.40
TRPV1 Q8NER1 3/20 0.39
NAA50 Q9GZZ1 2/20 0.39
CPT1B Q92523 2/20 0.39
BAZ2A Q9UIF9 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
HTT P42858 1/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35

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
SCHEMBL11970803 1.00 CPT1A (0.40) CPT1ACPT2TRPV1NAA50CPT1B
SCHEMBL3514484 0.89 TSHR (0.38) CPT1ACPT2TRPV1CPT1BBAZ2A
SCHEMBL3514481 0.89 TSHR (0.38) CPT1ACPT2TRPV1CPT1BBAZ2A
SCHEMBL475428 0.89 TRPV1 (0.45) CPT1ACPT2TRPV1NAA50CPT1B
SCHEMBL7872430 0.89 TRPV1 (0.45) CPT1ACPT2TRPV1NAA50CPT1B
SCHEMBL166998 0.89 TRPV1 (0.43) CPT1ACPT2TRPV1NAA50CPT1B
SCHEMBL166997 0.89 TRPV1 (0.43) CPT1ACPT2TRPV1NAA50CPT1B
SCHEMBL6466401 0.87 TRPV1 (0.40) CPT1ACPT2TRPV1NAA50CPT1B
SCHEMBL2713636 0.87 TRPV1 (0.40) CPT1ACPT2TRPV1NAA50CPT1B
SCHEMBL6468509 0.87 TRPV1 (0.40) CPT1ACPT2TRPV1NAA50CPT1B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 US disclosed
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BILCER GEOFFREY M (US) 2012-11-22 US disclosed
US-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2012-08-23 US disclosed
EP-2486006-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-08-15 EP disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed
EP-2411000-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-02-01 EP disclosed
EP-2349244-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2011-08-03 EP disclosed
WO-2011044057-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2011-04-14 WO disclosed
WO-2010110817-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-09-30 WO disclosed
WO-2010042892-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-04-15 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 (4 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-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, GSAP CPT1A 4546/4885CPT2 4034/4885TRPV1 4383/4885
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP CPT1A 3801/4885CPT2 3164/4885TRPV1 4577/4885
US-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP CPT1A 3801/4885CPT2 3164/4885TRPV1 4577/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP CPT1A 3801/4885CPT2 3164/4885TRPV1 4577/4885

“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.