SCHEMBL16655287

SCHEMBL16655287

CC(C)(C)OC(=O)NC1CN(C(=O)OCc2ccccc2)CC(C)(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RORC P51449 4/20 0.42
HSD11B1 P28845 1/20 0.41
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41
HTT P42858 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP30 Q70CQ3 1/20 0.40
CTSL P07711 2/20 0.40
CHRM4 P08173 1/20 0.40
SYK P43405 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 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
SCHEMBL2218560 0.92 HSD11B1 (0.45) KMT2AL3MBTL1RORCHSD11B1ENPP2
SCHEMBL30204000 0.90 L3MBTL1 (0.47) PDE4BKMT2AL3MBTL1RORCHSD11B1
SCHEMBL28554922 0.88 PDE4B (0.46) PDE4BKMT2AL3MBTL1RORCHSD11B1
SCHEMBL4132746 0.87 PDE4B (0.46) PDE4BKMT2AL3MBTL1RORCHSD11B1
SCHEMBL2821598 0.85 PDE4B (0.54) PDE4BKMT2AL3MBTL1RORCHSD11B1
SCHEMBL28557849 0.85 HSD11B1 (0.46) PDE4BKMT2AL3MBTL1RORCHSD11B1
SCHEMBL14428325 0.83 KMT2A (0.55) PDE4BKMT2AL3MBTL1RORCHSD11B1
SCHEMBL13456796 0.83 KMT2A (0.55) PDE4BKMT2AL3MBTL1RORCHSD11B1
SCHEMBL27172319 0.83 ENPP2 (0.57) PDE4BKMT2AL3MBTL1RORCENPP2
SCHEMBL15556730 0.82 KMT2A (0.46) PDE4BKMT2AL3MBTL1RORCHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
EP-3057954-A2 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 EP disclosed
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 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 (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-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 PDE4B 3762/4885KMT2A 1580/4885L3MBTL1 2611/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 PDE4B 3955/4885KMT2A 2159/4885L3MBTL1 2161/4885

“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.