SCHEMBL21149522

SCHEMBL21149522

CC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MDH1 P40925 1/20 0.39
▸ MDH2 P40926 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CES2 O00748 2/20 0.36
▸ CES1 P23141 2/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ GSK3B P49841 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
SCHEMBL20907878 1.00 PTPN1 (0.41) PTPN1MEN1KMT2AMDH1MDH2
SCHEMBL21148968 0.87 MEN1 (0.41) PTPN1MEN1KMT2ALMNAHTT
SCHEMBL28890357 0.87 MEN1 (0.41) PTPN1MEN1KMT2ALMNAHTT
SCHEMBL20907565 0.86 KMT2A (0.40) PTPN1MEN1KMT2ALMNAHTT
SCHEMBL20908058 0.86 KMT2A (0.40) PTPN1MEN1KMT2ALMNAHTT
SCHEMBL20907601 0.82 MEN1 (0.38) PTPN1MEN1KMT2ALMNAHTT
SCHEMBL21150257 0.82 MEN1 (0.38) PTPN1MEN1KMT2ALMNAHTT
SCHEMBL20907868 0.82 EPHX2 (0.38) PTPN1MEN1KMT2AALDH1A1KIF11
SCHEMBL28889780 0.82 EPHX2 (0.38) PTPN1MEN1KMT2AALDH1A1KIF11
SCHEMBL20907785 0.81 PTPN1 (0.40) PTPN1MEN1KMT2ALMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN PTPN1 3199/4885MEN1 2814/4885KMT2A 1556/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN PTPN1 3909/4885MEN1 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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