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Sugi Predict / Compounds / SCHEMBL21112581

SCHEMBL21112581

SCHEMBL21112581

CC(C)(C)CC(NC(=S)NC(=O)OCc1ccccc1)(C(=O)O)c1ccc2nccn2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 1/20 0.38
▸ RET P07949 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NAMPT P43490 5/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OPRK1 P41145 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
SCHEMBL21112577 1.00 SSTR4 (0.38) SSTR4RETMEN1KMT2ANAMPT
SCHEMBL28405405 0.90 SSTR4 (0.35) SSTR4RETMEN1KMT2ANAMPT
SCHEMBL28405406 0.90 SSTR4 (0.35) SSTR4RETMEN1KMT2ANAMPT
SCHEMBL21112352 0.82 MGLL (0.38) MEN1KMT2APLAUCTSLCTSB
SCHEMBL21112354 0.82 MGLL (0.38) MEN1KMT2APLAUCTSLCTSB
SCHEMBL21112593 0.80 TRPV1 (0.39) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL21112588 0.80 TRPV1 (0.39) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL20899868 0.80 MEN1 (0.40) MEN1KMT2APLAUCTSLCTSB
SCHEMBL21112426 0.80 PPARA (0.41) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL21112423 0.80 PPARA (0.41) MEN1KMT2ACTSLCTSBCTSS

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 SSTR4 4672/4885RET 4730/4885MEN1 2814/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN SSTR4 4672/4885RET 4730/4885MEN1 2814/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN SSTR4 4672/4885RET 4730/4885MEN1 2814/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN SSTR4 4732/4885RET 4132/4885MEN1 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.