Sugi Predict

Sugi Predict / Compounds / SCHEMBL21112588

SCHEMBL21112588

SCHEMBL21112588

CC(C)(C)C[C@](NC(=S)NC(=O)OCc1ccccc1)(C(=O)O)c1ccc(-c2ccccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 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
SCHEMBL21112593 1.00 TRPV1 (0.39) TRPV1ABL1BCRMGLLHDAC1
SCHEMBL21112354 0.91 MGLL (0.38) MGLLHDAC1HDAC2MEN1KMT2A
SCHEMBL21112352 0.91 MGLL (0.38) MGLLHDAC1HDAC2MEN1KMT2A
SCHEMBL29640239 0.90 TRPV1 (0.38) TRPV1ABL1BCRSMN1; SMN2CTSS
SCHEMBL28407464 0.90 TRPV1 (0.38) TRPV1ABL1BCRSMN1; SMN2CTSS
SCHEMBL21112423 0.84 PPARA (0.41) MEN1KMT2ASMN1; SMN2CTSLCTSB
SCHEMBL20899868 0.84 MEN1 (0.40) MGLLMEN1KMT2ASMN1; SMN2CTSL
SCHEMBL20899869 0.84 MEN1 (0.40) MGLLMEN1KMT2ASMN1; SMN2CTSL
SCHEMBL21112426 0.84 PPARA (0.41) MEN1KMT2ASMN1; SMN2CTSLCTSB
SCHEMBL20908059 0.81 CTSS (0.34) MGLLMEN1KMT2ASMN1; SMN2CTSL

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 TRPV1 2705/4885ABL1 1010/4885BCR 3782/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN TRPV1 2705/4885ABL1 1010/4885BCR 3782/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN TRPV1 2705/4885ABL1 1010/4885BCR 3782/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN TRPV1 2448/4885ABL1 847/4885BCR 3611/4885

“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.