SCHEMBL20907707

SCHEMBL20907707

CC(C)OC(=O)[C@](CC(C)(C)C)(NC(=S)NC(=O)OCc1ccccc1)c1ccc2nc(C3CC3)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ ALPL P05186 1/20 0.33
▸ CYP3A4 P08684 5/20 0.32
▸ TSHR P16473 4/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 3/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ AAK1 Q2M2I8 2/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29640147 0.92 CTSS (0.36) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL20907704 0.92 CTSS (0.36) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL28412390 0.92 CTSS (0.36) CYP2C9CYP2C19CYP1A2CYP3A4TSHR
SCHEMBL20908278 0.87 CTSS (0.33) KMT2ACTSSLMNAAAK1SMN1; SMN2
SCHEMBL23114827 0.87 CTSS (0.33) KMT2ACTSSLMNAAAK1SMN1; SMN2
SCHEMBL21112283 0.83 MEN1 (0.37) KMT2ACTSSCTSKCCNE1CDK2
SCHEMBL21112285 0.83 MEN1 (0.37) KMT2ACTSSCTSKCCNE1CDK2
SCHEMBL29640241 0.80 MEN1 (0.37) KMT2ACTSSAAK1SMN1; SMN2
SCHEMBL20907560 0.80 MEN1 (0.37) KMT2ACTSSAAK1SMN1; SMN2
SCHEMBL28407708 0.80 MEN1 (0.37) KMT2ACTSSAAK1SMN1; SMN2

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
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
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 — — WO 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 CYP2C9 2231/4885CYP2C19 890/4885CYP1A2 2161/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CYP2C9 2231/4885CYP2C19 890/4885CYP1A2 2161/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN CYP2C9 2231/4885CYP2C19 890/4885CYP1A2 2161/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN CYP2C9 2747/4885CYP2C19 870/4885CYP1A2 2655/4885

“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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