SCHEMBL23114826

SCHEMBL23114826

CC(C)OC(=O)[C@](CC(C)(C)C)(NC(=O)OCc1ccccc1)c1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 5/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ AAK1 Q2M2I8 5/20 0.36
▸ PKM P14618 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ LMNA P02545 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
SCHEMBL20908217 1.00 TACR1 (0.37) TACR1MEN1KMT2ACTSSAAK1
SCHEMBL21112351 0.89 MEN1 (0.40) TACR1MEN1KMT2ACTSSAAK1
SCHEMBL21112347 0.89 MEN1 (0.40) TACR1MEN1KMT2ACTSSAAK1
SCHEMBL20908216 0.82 MMP1 (0.36) TACR1MEN1KMT2ACTSSAAK1
SCHEMBL29640227 0.82 MMP1 (0.36) TACR1MEN1KMT2ACTSSAAK1
SCHEMBL29640241 0.82 MEN1 (0.37) TACR1MEN1KMT2ACTSSAAK1
SCHEMBL28407708 0.82 MEN1 (0.37) TACR1MEN1KMT2ACTSSAAK1
SCHEMBL20907560 0.82 MEN1 (0.37) TACR1MEN1KMT2ACTSSAAK1
SCHEMBL23114825 0.81 MEN1 (0.38) TACR1MEN1KMT2ACTSSAAK1
SCHEMBL20907561 0.81 PLAU (0.39) TACR1MEN1KMT2ACTSSAAK1

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 3 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

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-20210078959-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN TACR1 1109/4885MEN1 2814/4885KMT2A 1556/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN TACR1 1109/4885MEN1 2814/4885KMT2A 1556/4885

“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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