SCHEMBL475507

SCHEMBL475507

O=CC(Cc1cccc(F)c1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TAS2R14 Q9NYV8 2/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
NR3C1 P04150 1/20 0.38
SCD5 Q86SK9 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL475506 1.00 SLC1A1 (0.43) SLC1A1MEN1KMT2AL3MBTL1TAS2R14
SCHEMBL475774 0.90 TDP1 (0.36) MEN1KMT2AL3MBTL1TAS2R14TDP1
SCHEMBL14130060 0.90 TDP1 (0.36) MEN1KMT2AL3MBTL1TAS2R14TDP1
SCHEMBL475776 0.90 TDP1 (0.36) MEN1KMT2AL3MBTL1TAS2R14TDP1
SCHEMBL475432 0.84 EPHX1 (0.44) MEN1KMT2AL3MBTL1TAAR1
SCHEMBL475431 0.84 EPHX1 (0.44) MEN1KMT2AL3MBTL1TAAR1
SCHEMBL268577 0.82 DPP4 (0.45) TDP1
SCHEMBL268576 0.82 DPP4 (0.45) TDP1
SCHEMBL269194 0.78 ALDH1A1 (0.46) MEN1KMT2ATAS2R14PPARGPPARA
SCHEMBL269195 0.78 ALDH1A1 (0.46) MEN1KMT2ATAS2R14PPARGPPARA

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
EP-2411000-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-02-01 EP disclosed
WO-2011130383-A1 COMPOUNDS CONTAINING FUSED RINGS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2011-10-20 WO 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 SLC1A1 2610/4885MEN1 3866/4885KMT2A 3384/4885
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP SLC1A1 2281/4885MEN1 3898/4885KMT2A 3235/4885
US-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP SLC1A1 2281/4885MEN1 3898/4885KMT2A 3235/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP SLC1A1 2281/4885MEN1 3898/4885KMT2A 3235/4885

“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.