SCHEMBL6134

SCHEMBL6134

COC(=O)N[C@@H](CSC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
FOLH1 Q04609 8/20 0.41
NAALAD2 Q9Y3Q0 3/20 0.41
RIMKLA Q8IXN7 1/20 0.41
MAPK1 P28482 1/20 0.40
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
LMNA P02545 2/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL5527994 1.00 TGFBR1 (0.41) TGFBR1FOLH1NAALAD2RIMKLAMAPK1
SCHEMBL16001107 0.88 ITGB1 (0.48) TGFBR1FOLH1NAALAD2RIMKLAPPARG
SCHEMBL14537500 0.84 FOLH1 (0.38) TGFBR1FOLH1NAALAD2RIMKLAMAPK1
SCHEMBL14932838 0.83 GAA (0.33) FOLH1MAPK1ALDH1A1
SCHEMBL1983218 0.82 MAPK1 (0.54) FOLH1MAPK1LMNAALDH1A1
SCHEMBL1983219 0.82 MAPK1 (0.54) FOLH1MAPK1LMNAALDH1A1
SCHEMBL4462156 0.81 TGFBR1 (0.37) TGFBR1FOLH1NAALAD2RIMKLAPPARG
SCHEMBL4461437 0.81 TGFBR1 (0.37) TGFBR1FOLH1NAALAD2RIMKLAPPARG
SCHEMBL46641 0.81 PPARA (0.57) PPARGPPARAPPARD
SCHEMBL2313666 0.81 PPARA (0.57) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
EP-1697344-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2006-09-06 EP disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
WO-2005058841-A2 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2005-06-30 WO disclosed
EP-0900210-B1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 2005-02-09 EP disclosed
US-6300519-B1 REACTING HYDRAZINE DERIVATIVE WITH EPOXIDE COMPOUND NOVARTIS FINANCE CORPORATION 2001-10-09 US disclosed
US-6166004-A Combinations of HIV protease inhibitors with reverse transcriptase inhibitors NOVARTIS FINANCE CORPORATION (US) 2000-12-26 US disclosed
US-6110946-A AN ENZYME INHIBITORS OF RETROVIRAL ASPARTATE PROTEASE FOR THE TREATMENT OF AIDS NOVARTIS FINANCE CORPORATION (US) 2000-08-29 US disclosed
EP-0900210-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES Novartis AG (CH) 1999-03-10 EP disclosed
US-5849911-A Antivirally active heterocyclic azahexane derivatives NOVARTIS FINANCE CORPORATION (US) 1998-12-15 US disclosed
WO-1997040029-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 1997-10-30 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 (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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 TGFBR1 4117/4885FOLH1 1375/4885NAALAD2 208/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP TGFBR1 4610/4885FOLH1 252/4885NAALAD2 28/4885
US-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP TGFBR1 4610/4885FOLH1 252/4885NAALAD2 28/4885

“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.