SCHEMBL21112557

SCHEMBL21112557

CC(C)(C)C[C@](NC(=O)OCc1ccccc1)(C(=O)O)c1ccc2nc(N)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 4/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BACE1 P56817 2/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ CTSS P25774 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NOS1 P29475 2/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ TOP2A P11388 1/20 0.35

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
SCHEMBL21112560 1.00 PLAU (0.41) PLAUMEN1KMT2ABACE1MCHR1
SCHEMBL21112128 0.89 MEN1 (0.40) PLAUMEN1KMT2ACTSSMGLL
SCHEMBL21112129 0.89 MEN1 (0.40) PLAUMEN1KMT2ACTSSMGLL
SCHEMBL20907561 0.89 PLAU (0.39) PLAUMEN1KMT2ABACE1MCHR1
SCHEMBL28402028 0.89 PLAU (0.39) PLAUMEN1KMT2ABACE1MCHR1
SCHEMBL21112173 0.87 CTSS (0.39) PLAUMEN1KMT2ACTSSMGLL
SCHEMBL21112599 0.87 MEN1 (0.39) PLAUMEN1KMT2ACTSSMGLL
SCHEMBL21112602 0.87 MEN1 (0.39) PLAUMEN1KMT2ACTSSMGLL
SCHEMBL21112174 0.87 CTSS (0.39) PLAUMEN1KMT2ACTSSMGLL
SCHEMBL20899711 0.86 MEN1 (0.38) PLAUMEN1KMT2ACTSSMGLL

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 PLAU 566/4885MEN1 2814/4885KMT2A 1556/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN PLAU 566/4885MEN1 2814/4885KMT2A 1556/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN PLAU 566/4885MEN1 2814/4885KMT2A 1556/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN PLAU 401/4885MEN1 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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