SCHEMBL21452463

SCHEMBL21452463

CC(C)(C)OC(=O)NC1(c2c(F)cc(F)cc2F)CCCC(O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
RORC P51449 2/20 0.32
BDKRB1 P46663 4/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PARP1 P09874 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
RIPK1 Q13546 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30

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
SCHEMBL21451903 0.90 DDB1 (0.36) DDB1CRBNRORCBDKRB1NFKB1
SCHEMBL21451948 0.88 RIPK1 (0.33) DPP8DPP9DDB1CRBNRORC
SCHEMBL21452516 0.86 DDB1 (0.35) DPP8DPP9DDB1CRBNRORC
SCHEMBL21452380 0.84 OPRM1 (0.39) DPP8DPP9DDB1CRBNRORC
SCHEMBL21452111 0.83 RORC (0.43) DPP8DPP9DDB1CRBNRORC
SCHEMBL21452175 0.82 HDAC4 (0.39) DDB1CRBNRORCBDKRB1NFKB1
SCHEMBL25381097 0.81 HDAC4 (0.36) DPP8DPP9RORCBDKRB1NFKB1
SCHEMBL21452458 0.81 HDAC4 (0.36) DPP8DPP9RORCBDKRB1NFKB1
SCHEMBL23002199 0.81 BDKRB1 (0.34) DPP8DPP9DDB1CRBNRORC
SCHEMBL23490930 0.81 DDB1 (0.35) DPP8DPP9DDB1CRBNRORC

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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 WO disclosed
US-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 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 (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-20160185778-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS DPP8 686/4885DPP9 786/4885DDB1 201/4885
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT DPP8 734/4885DPP9 1703/4885DDB1 4837/4885

“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.