SCHEMBL718202

SCHEMBL718202

CC(C)(C)[C@@H](c1ccccc1)C(NC(=O)O)[C@H]1CO1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
GAA P10253 1/20 0.40
SLC6A3 Q01959 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RIPK1 Q13546 1/20 0.37
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 4/20 0.35
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL1044376 1.00 HPGD (0.40) HPGDGAASLC6A3TDP1ALDH1A1
SCHEMBL3743645 1.00 HPGD (0.40) HPGDGAASLC6A3TDP1ALDH1A1
SCHEMBL3103010 1.00 HPGD (0.40) HPGDGAASLC6A3TDP1ALDH1A1
SCHEMBL970614 0.88 CYP26A1 (0.37) HPGDGAASLC6A3ALDH1A1
SCHEMBL464738 0.84 ACACB (0.44) LMNAL3MBTL1MAPT
SCHEMBL4891377 0.82 SLC6A3 (0.32) SLC6A3
SCHEMBL2443114 0.82 TDP1 (0.36) HPGDGAASLC6A3TDP1ALDH1A1
SCHEMBL2176858 0.73
SCHEMBL6246290 0.72 SLC6A3 (0.38) SLC6A3ATML3MBTL1SMN1; SMN2NPSR1
SCHEMBL4684382 0.72 HPGD (0.43) HPGDGAASLC6A3ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350048-B2 Amide compounds as boosters of antivirals JANSSEN R&D IRELAND (IE) 2013-01-08 US disclosed
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20110257111-A1 Hydroxyethlamino Sulfonamide Derivatives CONCERT PHARMACEUTICALS, INC. 2011-10-20 US disclosed
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20100305073-A1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS TIBOTEC BVBA 2010-12-02 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US 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 (6 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP HPGD 2315/4885GAA 37/4885SLC6A3 4713/4885
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP HPGD 2249/4885GAA 44/4885SLC6A3 4717/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP HPGD 2249/4885GAA 44/4885SLC6A3 4717/4885
US-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 HPGD 1636/4885GAA 25/4885SLC6A3 1641/4885
US-20100305073-A1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS CYP3A5, CYP3A4, CYP3A43 HPGD 493/4885GAA 87/4885SLC6A3 1795/4885
US-20110257111-A1 Hydroxyethlamino Sulfonamide Derivatives HTRA1, PRSS8, PRSS1 HPGD 477/4885GAA 54/4885SLC6A3 720/4885

“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.