SCHEMBL16789472

SCHEMBL16789472

Cc1ccc2cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ABCC4 O15439 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ CCR9 P51686 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PLA2G7 Q13093 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
SCHEMBL16789474 0.87 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL15335218 0.87 ALDH1A1 (0.38) KDM4EALDH1A1KMT2AJAK2JAK1
SCHEMBL16789475 0.80 KCNH2 (0.51) —
SCHEMBL15335138 0.77 KDM4E (0.38) KDM4EALDH1A1MEN1KMT2AJAK2
SCHEMBL15335222 0.77 KDM4E (0.38) KDM4EALDH1A1JAK2JAK1JAK3
SCHEMBL8177614 0.76 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AJAK2
SCHEMBL15335145 0.73 JAK2 (0.37) KDM4EALDH1A1LMNAJAK2JAK1
SCHEMBL15334966 0.73 CNR2 (0.48) KDM4EALDH1A1MEN1KMT2A
SCHEMBL16293902 0.72 HDAC6 (0.41) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL30765666 0.71 KDM4E (0.51) KDM4EALDH1A1JAK2JAK1JAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315499-B2 Cytomegalovirus inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 — — US disclosed
US-20150158861-A1 CYTOMEGALOVIRUS INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-11 — — 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 (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-20150158861-A1 CYTOMEGALOVIRUS INHIBITOR COMPOUNDS CCNT1, CDKN1A, FOXM1 KDM4E 3052/4885ALDH1A1 3564/4885MEN1 182/4885

“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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