SCHEMBL18171825

SCHEMBL18171825

COc1ccc2c(c1)n(CC(=O)OC(C)(C)C)c(=O)n2CC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ MAPT P10636 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39

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
SCHEMBL24093939 0.83 MEN1 (0.44) MEN1KMT2A
SCHEMBL18171826 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL18171783 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL18180375 0.81 APEX1 (0.57) GRM2KMO
SCHEMBL18171779 0.81 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL18583408 0.81 MEN1 (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL27033665 0.80 CDYL2 (0.63) SMN1; SMN2KMOCBX7CDYL2CDYL
SCHEMBL31324857 0.80 CDYL2 (0.63) SMN1; SMN2KMOCBX7CDYL2CDYL
SCHEMBL18171809 0.78 CYP1A2 (0.59) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL2071739 0.77 ALDH1A1 (0.41) GRM2ALDH1A1MEN1KMT2AKDM4E

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 GRM2 4810/4885ALDH1A1 2545/4885MEN1 4064/4885

“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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