SCHEMBL2316795

SCHEMBL2316795

Cc1csc([C@H]2CCCN2C(=O)c2cc(C(=O)O)cc(C(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.39
NAA50 Q9GZZ1 2/20 0.39
BAZ2A Q9UIF9 1/20 0.38
CPT1A P50416 3/20 0.38
CPT2 P23786 2/20 0.38
POLB P06746 1/20 0.37
CPT1B Q92523 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 0.35
AADAT Q8N5Z0 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
SCHEMBL475533 1.00 TRPV1 (0.39) TRPV1NAA50BAZ2ACPT1ACPT2
SCHEMBL3512866 0.89 TSHR (0.38) TRPV1NAA50BAZ2ACPT1ACPT2
SCHEMBL2317005 0.89 TSHR (0.38) TRPV1NAA50BAZ2ACPT1ACPT2
SCHEMBL475428 0.89 TRPV1 (0.45) TRPV1NAA50BAZ2ACPT1ACPT2
SCHEMBL7872430 0.89 TRPV1 (0.45) TRPV1NAA50BAZ2ACPT1ACPT2
SCHEMBL166997 0.89 TRPV1 (0.43) TRPV1NAA50BAZ2ACPT1ACPT2
SCHEMBL166998 0.89 TRPV1 (0.43) TRPV1NAA50BAZ2ACPT1ACPT2
SCHEMBL6466401 0.87 TRPV1 (0.40) TRPV1NAA50BAZ2ACPT1ACPT2
SCHEMBL2713636 0.87 TRPV1 (0.40) TRPV1NAA50BAZ2ACPT1ACPT2
SCHEMBL6468509 0.87 TRPV1 (0.40) TRPV1NAA50BAZ2ACPT1ACPT2

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 17 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-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
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-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 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-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BILCER GEOFFREY M (US) 2012-11-22 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
US-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2012-08-23 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-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
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 TRPV1 4383/4885NAA50 487/4885BAZ2A 380/4885
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP TRPV1 4577/4885NAA50 212/4885BAZ2A 222/4885
US-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP TRPV1 4577/4885NAA50 212/4885BAZ2A 222/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP TRPV1 4577/4885NAA50 212/4885BAZ2A 222/4885

“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.