SCHEMBL21112672

SCHEMBL21112672

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 5/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ GPER1 Q99527 2/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIP5K1C O60331 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ ACHE P22303 2/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RET P07949 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
SCHEMBL21112675 1.00 EP300 (0.33) EP300BRD4CREBBPGPER1MAPK1
SCHEMBL29640359 0.89 MKNK1 (0.32) EP300BRD4CREBBPMKNK1MKNK2
SCHEMBL20908223 0.89 MKNK1 (0.32) EP300BRD4CREBBPMKNK1MKNK2
SCHEMBL21112969 0.86 CREBBP (0.36) EP300BRD4CREBBPGPER1MKNK1
SCHEMBL21112970 0.86 CREBBP (0.36) EP300BRD4CREBBPGPER1MKNK1
SCHEMBL28407657 0.80 BRD4 (0.37) EP300BRD4CREBBPGPER1ACHE
SCHEMBL28407659 0.80 BRD4 (0.37) EP300BRD4CREBBPGPER1ACHE
SCHEMBL28403736 0.74 MKNK1 (0.35) EP300BRD4CREBBPGPER1MKNK1
SCHEMBL28403738 0.74 MKNK1 (0.35) EP300BRD4CREBBPGPER1MKNK1
SCHEMBL20907580 0.74 JAK1 (0.36) EP300BRD4CREBBPMKNK1MKNK2

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 EP300 880/4885BRD4 1637/4885CREBBP 2087/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN EP300 880/4885BRD4 1637/4885CREBBP 2087/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN EP300 880/4885BRD4 1637/4885CREBBP 2087/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN EP300 1399/4885BRD4 2157/4885CREBBP 2317/4885

“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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