SCHEMBL20899722

SCHEMBL20899722

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.32
OGG1 O15527 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20899721 1.00 FPR2 (0.32) FPR2OGG1MEN1NPC1RAB9A
SCHEMBL20899720 1.00 FPR2 (0.32) FPR2OGG1MEN1NPC1RAB9A
SCHEMBL30557272 0.85 MEN1 (0.32) MEN1KMT2A
SCHEMBL21112452 0.85 MEN1 (0.32) MEN1KMT2A
SCHEMBL21112453 0.85 MEN1 (0.32) MEN1KMT2A
SCHEMBL21112450 0.85 MEN1 (0.32) MEN1KMT2A
SCHEMBL22558307 0.80 FPR2 (0.30) FPR2
SCHEMBL22558310 0.80 FPR2 (0.30) FPR2
SCHEMBL22558309 0.80 FPR2 (0.30) FPR2
SCHEMBL15028738 0.69 PTGDR2 (0.34) FPR2MEN1KMT2A

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 5 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-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
EP-3694846-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS Gilead Sciences, Inc. (US) 2020-08-19 EP disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 US disclosed
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 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 (2 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN FPR2 4014/4885OGG1 4192/4885MEN1 2814/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN FPR2 3861/4885OGG1 4254/4885MEN1 463/4885

“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.