SCHEMBL21112302

SCHEMBL21112302

Cn1c(=O)ccc2cc(C(CC(C)(C)C)(NC(=O)OCc3ccccc3)C(=O)O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ BRD1 O95696 2/20 0.36
▸ BRPF1 P55201 2/20 0.36
▸ BRD9 Q9H8M2 2/20 0.36
▸ BRPF3 Q9ULD4 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ CTSS P25774 2/20 0.36
▸ KAT2B Q92831 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ KCNA5 P22460 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HDAC3 O15379 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
SCHEMBL21112298 1.00 MEN1 (0.39) MEN1KMT2AALOX5SMN1; SMN2BRD4
SCHEMBL29640227 0.89 MMP1 (0.36) MEN1KMT2AALOX5SMN1; SMN2BRD4
SCHEMBL20908216 0.89 MMP1 (0.36) MEN1KMT2AALOX5SMN1; SMN2BRD4
SCHEMBL20907575 0.82 MMP1 (0.34) MEN1KMT2AALOX5SMN1; SMN2BRD4
SCHEMBL21148935 0.82 MMP1 (0.34) MEN1KMT2AALOX5SMN1; SMN2BRD4
SCHEMBL21112715 0.81 MEN1 (0.36) MEN1KMT2ASMN1; SMN2CTSSMGLL
SCHEMBL21112713 0.81 MEN1 (0.36) MEN1KMT2ASMN1; SMN2CTSSMGLL
SCHEMBL21112347 0.80 MEN1 (0.40) MEN1KMT2ASMN1; SMN2CTSSMGLL
SCHEMBL21112351 0.80 MEN1 (0.40) MEN1KMT2ASMN1; SMN2CTSSMGLL
SCHEMBL21112128 0.79 MEN1 (0.40) MEN1KMT2ASMN1; SMN2CTSSMGLL

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
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
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 1556/4885ALOX5 3256/4885
US-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885ALOX5 3256/4885
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MEN1 2814/4885KMT2A 1556/4885ALOX5 3256/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MEN1 463/4885KMT2A 1129/4885ALOX5 3149/4885

“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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