SCHEMBL16042292

SCHEMBL16042292

CC(=O)C(CC(=O)c1c(F)cccc1F)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
ADRB2 P07550 4/20 0.34
ADRB1 P08588 4/20 0.34
ADRB3 P13945 4/20 0.34
AAK1 Q2M2I8 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APP P05067 1/20 0.33
BDKRB1 P46663 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL28037222 0.81 ITGB2 (0.44) KMT2ACES2CES1LMNAALDH1A1
SCHEMBL8536465 0.76 ERCC5 (0.42) KMT2ATHRBADRB2ADRB1ADRB3
SCHEMBL8535121 0.76 ADRB2 (0.45) KMT2AADRB2ADRB1ADRB3ALDH1A1
SCHEMBL16042409 0.75 HTT (0.48) KMT2AAAK1ALDH1A1SMN1; SMN2CTSS
SCHEMBL16042348 0.75 RXFP1 (0.44) KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL8535820 0.73 ALDH1A1 (0.46) KMT2ALMNATHRBALDH1A1SMN1; SMN2
SCHEMBL27497692 0.73 AAK1 (0.36) KMT2ALMNAAAK1ALDH1A1
SCHEMBL27498315 0.73 SLC7A5 (0.47) KMT2AAAK1ALDH1A1SMN1; SMN2
SCHEMBL16492258 0.72 SCN9A (0.39) KMT2AADRB2ADRB1ADRB3GPR119
SCHEMBL24834160 0.71 ALDH1A1 (0.36) KMT2ALMNAALDH1A1

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-2970193-B1 PYRROLE AMIDE INHIBITORS ABBVIE INC (US) 2018-07-25 EP disclosed
US-9493411-B2 Pyrrole-3-carboxamide bromodomain inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
EP-2970193-A1 PYRROLE AMIDE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
WO-2014165127-A1 PYRROLE AMIDE INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140275079-A1 PYRROLE AMIDE INHIBITORS ABBVIE INC. 2014-09-18 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-20140275079-A1 PYRROLE AMIDE INHIBITORS HDAC10, ARG1, CDK20 KMT2A 2286/4885CES2 2821/4885CES1 470/4885

“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.