SCHEMBL21112253

SCHEMBL21112253

CC(C)(C)[S@+]([O-])N=C(C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
HAO1 Q9UJM8 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CYP1A2 P05177 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 4/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
AKR1C3 P42330 1/20 0.35
HTT P42858 1/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL22612074 1.00 CA1 (0.39) CA1CA2HAO1CES2CES1
SCHEMBL21112252 1.00 CA1 (0.39) CA1CA2HAO1CES2CES1
SCHEMBL21112254 1.00 CA1 (0.39) CA1CA2HAO1CES2CES1
SCHEMBL28890374 0.80 ALDH1A1 (0.37) CA1CA2CES2CES1HPGD
SCHEMBL29640184 0.80 ALDH1A1 (0.37) CA1CA2CES2CES1HPGD
SCHEMBL29457193 0.80 ALDH1A1 (0.37) CA1CA2CES2CES1HPGD
SCHEMBL17688704 0.79 RAB9A (0.39) HAO1HPGDALDH1A1KMT2AMEN1
SCHEMBL17688702 0.79 RAB9A (0.39) HAO1HPGDALDH1A1KMT2AMEN1
SCHEMBL15124899 0.77 DGAT1 (0.35) CES2CYP1A2HPGDLMNAALDH1A1
SCHEMBL15124897 0.77 DGAT1 (0.35) CES2CYP1A2HPGDLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694846-B1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2024-05-08 EP disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed
US-11318119-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-05-03 US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 US disclosed
US-20200345699-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2020-11-05 US disclosed
US-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 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 (6 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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN CA1 2034/4885CA2 1635/4885HAO1 3177/4885
US-20200345699-A1 HIV PROTEASE INHIBITORS ACE, PRSS1, TMPRSS2 CA1 2057/4885CA2 1024/4885HAO1 1723/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CA1 2034/4885CA2 1635/4885HAO1 3177/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CA1 2034/4885CA2 1635/4885HAO1 3177/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN CA1 1598/4885CA2 1324/4885HAO1 1599/4885
US-11318119-B2 HIV protease inhibitors ACE, PRSS1, TMPRSS2 CA1 2057/4885CA2 1024/4885HAO1 1723/4885

“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.