SCHEMBL4890734

SCHEMBL4890734

Cc1cccc(COC(=O)CCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.54
THRB P10828 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
HSP90AA1 P07900 1/20 0.54
FFAR1 O14842 4/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
POLB P06746 1/20 0.50
IDO1 P14902 2/20 0.49
LMNA P02545 1/20 0.48
MAOB P27338 2/20 0.48
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTBP2 P56545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2535662 0.94 HSP90AA1 (0.59) THRATHRBFFAR4HSP90AA1FFAR1
SCHEMBL27771970 0.86 POLB (0.54) THRATHRBFFAR4HSP90AA1FFAR1
SCHEMBL5357242 0.84 HSP90AA1 (0.51) THRATHRBFFAR4HSP90AA1FFAR1
Hydrochloric Acid SCHEMBL4484016 0.82 IDO1 (0.50) THRATHRBFFAR4HSP90AA1FFAR1
SCHEMBL11703597 0.82 MMP2 (0.54) THRATHRBFFAR4HSP90AA1FFAR1
Succinic Acid SCHEMBL28290797 0.81 ALDH1A1 (0.66) FFAR4FFAR1POLBLMNAALDH1A1
Succinic Acid Monobenzyl Ester SCHEMBL827012 0.81 ALDH1A1 (0.66) FFAR4FFAR1POLBLMNAALDH1A1
SCHEMBL15075277 0.81 IDO1 (0.56) THRATHRBFFAR4HSP90AA1MMP2
SCHEMBL8893780 0.81 MMP2 (0.52) THRATHRBFFAR4HSP90AA1MMP2
SCHEMBL6668283 0.81 HSP90AA1 (0.57) HSP90AA1MMP2MMP9MMP12POLB

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 22 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-1148050-A1 Retroviral protease inhibitors MONSANTO COMPANY (US) 2001-10-24 EP 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
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 THRA 4520/4885THRB 4247/4885FFAR4 4543/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP THRA 4793/4885THRB 4672/4885FFAR4 4334/4885
US-20030195227-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 THRA 4671/4885THRB 4382/4885FFAR4 4566/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 THRA 4671/4885THRB 4382/4885FFAR4 4566/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 THRA 4671/4885THRB 4382/4885FFAR4 4566/4885

“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.