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SCHEMBL21112905

SCHEMBL21112905

CC(=CC#N)CC(NC(=O)OCc1ccccc1)(C(=O)O)c1ccc(-c2cnn(C(F)F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 3/20 0.35
▸ CTSS P25774 8/20 0.35
▸ CTSL P07711 7/20 0.34
▸ CTSB P07858 5/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ CTSK P43235 4/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32

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
SCHEMBL21112902 1.00 EP300 (0.35) EP300CTSSCTSLCTSBTACR1
SCHEMBL21112901 1.00 EP300 (0.35) EP300CTSSCTSLCTSBTACR1
SCHEMBL29640161 0.92 EP300 (0.35) EP300CTSSCTSLCTSBMGLL
SCHEMBL21112175 0.89 MGLL (0.38) EP300CTSSMGLLROCK2MEN1
SCHEMBL21112176 0.89 MGLL (0.38) EP300CTSSMGLLROCK2MEN1
SCHEMBL21112223 0.88 MGLL (0.35) EP300MGLLROCK2MEN1KMT2A
SCHEMBL21112222 0.88 MGLL (0.35) EP300MGLLROCK2MEN1KMT2A
SCHEMBL21112221 0.88 MGLL (0.35) EP300MGLLROCK2MEN1KMT2A
SCHEMBL21112155 0.87 MGLL (0.37) EP300CTSSCTSLMGLLCTSK
SCHEMBL21112156 0.87 MGLL (0.37) EP300CTSSCTSLMGLLCTSK

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
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
CN-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 — — CN 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 880/4885CTSS 27/4885CTSL 41/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN EP300 880/4885CTSS 27/4885CTSL 41/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN EP300 880/4885CTSS 27/4885CTSL 41/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN EP300 1399/4885CTSS 31/4885CTSL 46/4885

“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.