SCHEMBL4898850

SCHEMBL4898850

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nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 1/20 0.42
FOLH1 Q04609 2/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.37
ENPEP Q07075 2/20 0.37
BLM P54132 1/20 0.37
TP53 P04637 1/20 0.36
PMP22 Q01453 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
LTA4H P09960 1/20 0.33
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1601477 1.00 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL2437343 1.00 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL8436474 0.79 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL7193017 0.79 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL27431345 0.79 GABRR1 (0.42) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL8779426 0.77 PMP22 (0.34) GABRR1PMP22NOS2
SCHEMBL8749887 0.77 PMP22 (0.34) GABRR1PMP22NOS2
SCHEMBL7337250 0.77 GABRR1 (0.41) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL14113248 0.77 GABRR1 (0.46) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL4908056 0.77 GABRR1 (0.46) GABRR1CYP1A2FOLH1NAALAD2ENPEP

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 93 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-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-23 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-7045518-B2 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-05-16 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
EP-0815856-B1 Retroviral protease inhibitors MONSANTO CO (US) 2005-06-01 EP 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-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 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 GABRR1 2997/4885CYP1A2 3513/4885FOLH1 189/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP GABRR1 2859/4885CYP1A2 1304/4885FOLH1 322/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 GABRR1 3200/4885CYP1A2 2472/4885FOLH1 165/4885
US-20060264483-A1 Sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, PRSS1 GABRR1 3333/4885CYP1A2 4224/4885FOLH1 717/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 GABRR1 3200/4885CYP1A2 2472/4885FOLH1 165/4885

“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.