SCHEMBL21112618

SCHEMBL21112618

CC(C)(C)C[C@](NC(=O)OCc1ccccc1)(C(=O)O)c1ccc2c(ccc3c(C#N)cnn32)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 9/20 0.37
▸ CTSL P07711 9/20 0.37
▸ CTSB P07858 5/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TACR1 P25103 1/20 0.34
▸ CTSK P43235 5/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ CSNK2A1 P68400 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
SCHEMBL21112622 1.00 CTSS (0.37) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL29640270 0.91 CTSS (0.37) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL21112713 0.82 MEN1 (0.36) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL21112715 0.82 MEN1 (0.36) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL21112298 0.79 MEN1 (0.39) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL21112302 0.79 MEN1 (0.39) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL21112778 0.76 SLC22A12 (0.34) SLC22A12CSNK2A1
SCHEMBL21112780 0.76 SLC22A12 (0.34) SLC22A12CSNK2A1
SCHEMBL21112128 0.75 MEN1 (0.40) CTSSCTSLCTSBMEN1KMT2A
SCHEMBL21112129 0.75 MEN1 (0.40) CTSSCTSLCTSBMEN1KMT2A

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 CTSS 27/4885CTSL 41/4885CTSB 37/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CTSS 27/4885CTSL 41/4885CTSB 37/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CTSS 27/4885CTSL 41/4885CTSB 37/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN CTSS 31/4885CTSL 46/4885CTSB 50/4885

“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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