SCHEMBL2188440

SCHEMBL2188440

CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.54
SLC6A11 P48066 1/20 0.54
BCHE P06276 7/20 0.54

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
SCHEMBL3324386 1.00 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL2843607 1.00 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL2843604 1.00 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL7305633 0.93 BACE1 (0.60) BACE1SLC6A11BCHE
SCHEMBL7306846 0.93 BACE1 (0.60) BACE1SLC6A11BCHE
SCHEMBL3352792 0.91 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL3352784 0.91 BACE1 (0.54) BACE1SLC6A11BCHE
SCHEMBL4349878 0.89 FOLH1 (0.45) BACE1SLC6A11BCHE
SCHEMBL6051163 0.89 FOLH1 (0.45) BACE1SLC6A11BCHE
SCHEMBL13537983 0.89 BACE1 (0.52) BACE1SLC6A11BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018015929-A1 A NOVEL PROCESS FOR THE PREPARATION OF HIV PROTEASE INHIBITOR AND INTERMEDIATES THEREOF GRANULES INDIA LIMITED (IN) 2018-01-25 WO disclosed
EP-2235008-B1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS JANSSEN SCIENCES IRELAND UC (IE) 2016-03-16 EP disclosed
US-8653141-B2 HIV protease inhibiting compounds ABBVIE INC. (US) 2014-02-18 US disclosed
EP-2264032-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBVIE INC (US) 2013-08-07 EP disclosed
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8350048-B2 Amide compounds as boosters of antivirals JANSSEN R&D IRELAND (IE) 2013-01-08 US disclosed
EP-2216334-B1 HIV protease inhibiting sulfonamides ABBOTT LAB (US) 2012-10-31 EP disclosed
EP-1463502-B1 BROADSPECTRUM HETEROCYCLIC SUBSTITUTED PHENYL CONTAINING SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARM LTD (IE) 2011-07-13 EP disclosed
EP-2264032-A2 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-12-22 EP disclosed
US-20100305073-A1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS TIBOTEC BVBA 2010-12-02 US disclosed
EP-2235008-A2 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS Tibotec Pharmaceuticals (IE) 2010-10-06 EP disclosed
EP-2216334-A1 Hiv protease inhibiting sulfonamides Abbott Laboratories (US) 2010-08-11 EP disclosed
US-7763641-B2 Broadspectrum heterocyclic substituted phenyl containing sulfonamide HIV protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-07-27 US disclosed
US-7659404-B2 Broad spectrum 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-09 US disclosed
EP-1709037-B1 HIV PROTEASE INHIBITING SULFONAMIDES ABBOTT LAB (US) 2009-12-23 EP disclosed
WO-2009071650-A2 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-06-11 WO disclosed
EP-1370543-B1 BROADSPECTRUM 2-(SUBSTITUTED-AMINO)-BENZOTHIAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS TIBOTEC PHARM LTD (IE) 2006-10-25 EP disclosed
US-20050222215-A1 Broadspectrum heterocyclic substituted phenyl containing sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-10-06 US disclosed
US-20040116485-A1 Broad spectrum 2-(substituted-amino)-benzothiazole sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS LTD. (IE) 2004-06-17 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 (3 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-20050222215-A1 Broadspectrum heterocyclic substituted phenyl containing sulfonamide hiv protease inhibitors CYP2S1, PRSS1, AHCYL1 BACE1 271/4885SLC6A11 3623/4885BCHE 1216/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP BACE1 112/4885SLC6A11 3735/4885BCHE 201/4885
US-20100305073-A1 AMIDE COMPOUNDS AS BOOSTERS OF ANTIVIRALS CYP3A5, CYP3A4, CYP3A43 BACE1 823/4885SLC6A11 2155/4885BCHE 93/4885

“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.