SCHEMBL21150256

SCHEMBL21150256

CC(C)OC(=O)[C@@](N)(CC(C)(C)C)c1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ACACB O00763 4/20 0.33
▸ GABRA1 P14867 3/20 0.33
▸ GABRG2 P18507 3/20 0.33
▸ GABRB3 P28472 3/20 0.33
▸ GABRA5 P31644 3/20 0.33
▸ GABRA3 P34903 3/20 0.33
▸ GABRA2 P47869 3/20 0.33
▸ GABRA6 Q16445 2/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ GABRA4 P48169 2/20 0.31
▸ RARB P10826 1/20 0.31
▸ RARG P13631 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL20907600 1.00 MEN1 (0.35) MEN1KMT2AACACBGABRA1GABRG2
SCHEMBL20907601 0.83 MEN1 (0.38) MEN1KMT2APTPN1MAPT
SCHEMBL20907868 0.83 EPHX2 (0.38) MEN1KMT2APTPN1MAPT
SCHEMBL28889780 0.83 EPHX2 (0.38) MEN1KMT2APTPN1MAPT
SCHEMBL21150257 0.83 MEN1 (0.38) MEN1KMT2APTPN1MAPT
SCHEMBL23114936 0.82 MEN1 (0.31) MEN1KMT2APTPN1
SCHEMBL29640250 0.82 MEN1 (0.31) MEN1KMT2APTPN1
SCHEMBL21150408 0.82 MEN1 (0.31) MEN1KMT2APTPN1
SCHEMBL21112384 0.82 CYP1A2 (0.40) MEN1KMT2AACACBGABRA1GABRG2
SCHEMBL21112387 0.82 CYP1A2 (0.40) MEN1KMT2AACACBGABRA1GABRG2

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-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 MEN1 2814/4885KMT2A 1556/4885ACACB 2851/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885ACACB 2851/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885ACACB 2851/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885KMT2A 1129/4885ACACB 3681/4885

“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.

Send feedback