SCHEMBL21112969

SCHEMBL21112969

CC(C)C[C@](N)(C(=O)O)c1ccc(-c2cnn(C(F)F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ EP300 Q09472 4/20 0.36
▸ GPER1 Q99527 2/20 0.35
▸ ACHE P22303 6/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RET P07949 1/20 0.35
▸ PDK2 Q15119 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
SCHEMBL21112970 1.00 CREBBP (0.36) CREBBPBRD4EP300GPER1ACHE
SCHEMBL28403738 0.87 MKNK1 (0.35) CREBBPBRD4EP300GPER1ACHE
SCHEMBL28403736 0.87 MKNK1 (0.35) CREBBPBRD4EP300GPER1ACHE
SCHEMBL21112672 0.86 EP300 (0.33) CREBBPBRD4EP300GPER1ACHE
SCHEMBL21112675 0.86 EP300 (0.33) CREBBPBRD4EP300GPER1ACHE
SCHEMBL28407659 0.84 BRD4 (0.37) CREBBPBRD4EP300GPER1ACHE
SCHEMBL28407657 0.84 BRD4 (0.37) CREBBPBRD4EP300GPER1ACHE
SCHEMBL21150320 0.77 MKNK1 (0.34) CREBBPBRD4EP300GPER1ACHE
SCHEMBL30557222 0.76 BRD4 (0.35) CREBBPBRD4EP300ACHEMKNK1
SCHEMBL21150362 0.75 JAK1 (0.36) CREBBPBRD4EP300MKNK1MKNK2

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 6 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
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN 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 CREBBP 2087/4885BRD4 1637/4885EP300 880/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CREBBP 2087/4885BRD4 1637/4885EP300 880/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CREBBP 2087/4885BRD4 1637/4885EP300 880/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN CREBBP 2317/4885BRD4 2157/4885EP300 1399/4885

“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.

Send feedback