SCHEMBL18171783

SCHEMBL18171783

CC(C)(C)OC(=O)Cn1c(=O)n(CC(=O)OC(C)(C)C)c2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ CACNA1B Q00975 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ S1PR2 O95136 1/20 0.36

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
SCHEMBL639940 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL639520 0.89 LMNA (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL9094921 0.84 KDM4E (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL18171826 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL18171825 0.82 GRM2 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2MEN1
SCHEMBL18171779 0.82 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL17830716 0.80 LMNA (0.53) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL18171809 0.79 CYP1A2 (0.59) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL16186523 0.79 IDO1 (0.62) ALDH1A1MEN1KMT2AGAA
SCHEMBL18180179 0.77 APEX1 (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 — — US disclosed
EP-3286174-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 — — EP disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 — — 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 (1 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E ALDH1A1 2545/4885KDM4E 2426/4885HPGD 1074/4885

“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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