Sugi Predict

Sugi Predict / Compounds / SCHEMBL2433159

SCHEMBL2433159

SCHEMBL2433159

CN(C(=O)O)[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2csc(-c3cccnc3)n2)C1=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.52
▸ CTSD P07339 3/20 0.52
▸ CA2 P00918 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ ABCC3 O15438 2/20 0.37
▸ ABCC4 O15439 2/20 0.37
▸ ABCB11 O95342 2/20 0.37
▸ PGR P06401 2/20 0.37
▸ ABCB1 P08183 2/20 0.37
▸ ADORA3 P0DMS8 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ TBXA2R P21731 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ SCN5A Q14524 2/20 0.37
▸ ABCG2 Q9UNQ0 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SLC22A2 O15244 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
SCHEMBL2433154 1.00 CYP3A4 (0.52) CYP3A4CTSDCA2ALDH1A1ABCC3
SCHEMBL2436722 0.94 CYP3A4 (0.62) CYP3A4CTSDCA2ALDH1A1ABCC3
SCHEMBL3105446 0.94 CYP3A4 (0.62) CYP3A4CTSDCA2ALDH1A1ABCC3
SCHEMBL2435521 0.94 CYP3A4 (0.62) CYP3A4CTSDCA2ALDH1A1ABCC3
SCHEMBL2438653 0.94 CYP3A4 (0.62) CYP3A4CTSDCA2ALDH1A1ABCC3
SCHEMBL2439355 0.92 CYP3A4 (0.53) CYP3A4CTSDCA2ALDH1A1ABCC3
SCHEMBL2439361 0.92 CYP3A4 (0.53) CYP3A4CTSDCA2ALDH1A1ABCC3
SCHEMBL2435794 0.92 CYP3A4 (0.44) CYP3A4CTSDCA2ALDH1A1ABCC3
SCHEMBL2435800 0.92 CYP3A4 (0.44) CYP3A4CTSDCA2ALDH1A1ABCC3
SCHEMBL3800057 0.90 CYP3A4 (0.60) CYP3A4CTSDCA2ALDH1A1ABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 — — US claimed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 — — US claimed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 — — US claimed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 — — 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
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 — — US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 — — 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 CYP3A4 481/4885CTSD 146/4885CA2 4400/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP CYP3A4 764/4885CTSD 84/4885CA2 3870/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP CYP3A4 764/4885CTSD 84/4885CA2 3870/4885

“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.