Sugi Predict

Sugi Predict / Compounds / SCHEMBL21112352

SCHEMBL21112352

SCHEMBL21112352

CC(C)(C)C[C@](NC(=S)NC(=O)OCc1ccccc1)(C(=O)O)c1ccc(-c2ncccn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ OPRK1 P41145 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ CASP1 P29466 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
SCHEMBL21112354 1.00 MGLL (0.38) MGLLSMN1; SMN2MEN1KMT2ACTSL
SCHEMBL21112593 0.91 TRPV1 (0.39) MGLLSMN1; SMN2MEN1KMT2ACTSL
SCHEMBL21112588 0.91 TRPV1 (0.39) MGLLSMN1; SMN2MEN1KMT2ACTSL
SCHEMBL20908059 0.89 CTSS (0.34) MGLLSMN1; SMN2MEN1KMT2ACTSL
SCHEMBL28407522 0.89 CTSS (0.34) MGLLSMN1; SMN2MEN1KMT2ACTSL
SCHEMBL20899869 0.85 MEN1 (0.40) MGLLSMN1; SMN2MEN1KMT2ACTSL
SCHEMBL20899868 0.85 MEN1 (0.40) MGLLSMN1; SMN2MEN1KMT2ACTSL
SCHEMBL21112423 0.85 PPARA (0.41) SMN1; SMN2MEN1KMT2ACTSLCTSB
SCHEMBL21112426 0.85 PPARA (0.41) SMN1; SMN2MEN1KMT2ACTSLCTSB
SCHEMBL21112577 0.82 SSTR4 (0.38) SMN1; SMN2MEN1KMT2ACTSLCTSB

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 MGLL 2163/4885SMN1; SMN2 2891/4885MEN1 2814/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MGLL 2163/4885SMN1; SMN2 2891/4885MEN1 2814/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MGLL 2163/4885SMN1; SMN2 2891/4885MEN1 2814/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MGLL 2329/4885SMN1; SMN2 3372/4885MEN1 463/4885

“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.