SCHEMBL4894959

SCHEMBL4894959

COc1ccc(COC(=O)N[C@H](C)CC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
ALDH1A1 P00352 3/20 0.55
CTSL P07711 2/20 0.49
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ACHE P22303 1/20 0.49
FFAR1 O14842 7/20 0.49
MIF P14174 1/20 0.47
TOP2A P11388 1/20 0.46
TOP2B Q02880 1/20 0.46

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
SCHEMBL2576341 0.89 ATM (0.57) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL5981891 0.89 ATM (0.57) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL4184372 0.85 ATM (0.58) ATMCTSLCTSSCTSK
SCHEMBL265847 0.85 ATM (0.58) ATMCTSLCTSSCTSK
SCHEMBL5194569 0.85 ATM (0.58) ATMCTSLCTSSCTSK
SCHEMBL9828589 0.85 ATM (0.63) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL9828584 0.85 ATM (0.63) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL14370505 0.84 ATM (0.65) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL29137641 0.84 ATM (0.65) ATMALDH1A1CTSLCTSSCTSK
SCHEMBL10441764 0.83 ATM (0.67) ATMALDH1A1CTSLCTSSCTSK

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-7026333-B1 Retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20060040974-A1 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-02-23 US disclosed
US-20050004230-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2005-01-06 US disclosed
EP-1447398-A1 Retroviral protease inhibitors MONSANTO COMPANY (US) 2004-08-18 EP disclosed
US-6762187-B2 HETEROCYCLIC NITROGEN COMPOUNDS USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) MONSANTO COMPANY 2004-07-13 US disclosed
US-20030195227-A1 Retroviral protease inhibitors MONSANTO COMPANY (US) 2003-10-16 US disclosed
EP-0641325-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 2001-03-07 EP disclosed
US-6180646-B1 PREVENT REPRODUCTION OF RETROVIRUS MONSANTO COMPANY 2001-01-30 US disclosed
WO-2000002862-A1 RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-20 WO disclosed
EP-0957093-A2 Retrovial protease inhibitors MONSANTO COMPANY (US) 1999-11-17 EP disclosed
US-5948790-A VIRICIDES MOSANTO COMPANY (US) 1999-09-07 US disclosed
US-5756534-A Retroviral protease inhibitors MONSANTO COMPANY (US) 1998-05-26 US disclosed
US-5648364-A HETEROCYCLIC PEPTIDE COMPOUNDS AS ENZYME INHIBITORS MONSANTO COMPANY (US) 1997-07-15 US disclosed
US-5643924-A Retroviral protease inhibitors MONSANTO COMPANY OF ST. LOUIS (US) 1997-07-01 US disclosed
EP-0641325-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1995-03-08 EP disclosed
WO-1993023379-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-11-25 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 (5 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 ATM 4588/4885ALDH1A1 2859/4885CTSL 24/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP ATM 4458/4885ALDH1A1 2626/4885CTSL 33/4885
US-20030195227-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 ATM 4585/4885ALDH1A1 2763/4885CTSL 36/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 ATM 4585/4885ALDH1A1 2763/4885CTSL 36/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 ATM 4585/4885ALDH1A1 2763/4885CTSL 36/4885

“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.