SCHEMBL21112213

SCHEMBL21112213

CC(C)(C)C[C@](N)(C(=O)O)c1ccc(Br)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ APP P05067 1/20 0.36
▸ AKR1C3 P42330 2/20 0.35
▸ AKR1C2 P52895 2/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ KCNN4 O15554 1/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ EPHX2 P34913 3/20 0.31
▸ NR1H4 Q96RI1 3/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31

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
SCHEMBL20899732 1.00 CYP1A2 (0.38) CYP1A2MEN1KMT2AAPPAKR1C3
SCHEMBL20907590 0.82 MEN1 (0.35) MEN1KMT2AKIF11
SCHEMBL28407685 0.82 MEN1 (0.35) MEN1KMT2AKIF11
SCHEMBL20899783 0.80 CYP1A2 (0.35) CYP1A2MEN1KMT2AAPPAKR1C3
SCHEMBL30557356 0.80 CYP1A2 (0.35) CYP1A2MEN1KMT2AAPPAKR1C3
SCHEMBL21112711 0.80 CYP1A2 (0.35) CYP1A2MEN1KMT2AAPPAKR1C3
SCHEMBL20899692 0.79 CYP1A2 (0.47) CYP1A2MEN1KMT2AKIF11CYP2C19
SCHEMBL20899718 0.79 CYP1A2 (0.47) CYP1A2MEN1KMT2AKIF11CYP2C19
SCHEMBL16823668 0.77 APP (0.56) APPAKR1C3AKR1C2KIF11KCNN4
SCHEMBL31424308 0.77 APP (0.56) APPAKR1C3AKR1C2KIF11KCNN4

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-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — US disclosed
US-20210078959-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2021-03-18 — — 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 (4 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 CYP1A2 2161/4885MEN1 2814/4885KMT2A 1556/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CYP1A2 2161/4885MEN1 2814/4885KMT2A 1556/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CYP1A2 2161/4885MEN1 2814/4885KMT2A 1556/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN CYP1A2 2655/4885MEN1 463/4885KMT2A 1129/4885

“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.

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