SCHEMBL21451948

SCHEMBL21451948

CC(C)(C)OC(=O)NC1(c2cc(F)cc(F)c2F)CCCC(O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.33
HDAC4 P56524 1/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
RORC P51449 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
PARP1 P09874 1/20 0.30
BDKRB1 P46663 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL21452463 0.88 DPP8 (0.33) RIPK1DPP8DPP9RORCDDB1
SCHEMBL21452175 0.85 HDAC4 (0.39) HDAC4RORCDDB1CRBNBDKRB1
SCHEMBL21451950 0.83 HDAC4 (0.39) RIPK1HDAC4DPP8DPP9RORC
SCHEMBL23002199 0.82 BDKRB1 (0.34) DPP8DPP9RORCDDB1CRBN
SCHEMBL21452558 0.82 PSEN1 (0.35) BDKRB1NFKB1NFKB2RELA
SCHEMBL21451915 0.82 BDKRB1 (0.36) BDKRB1
SCHEMBL21452516 0.81 DDB1 (0.35) DPP8DPP9RORCDDB1CRBN
SCHEMBL21452238 0.81 DPP8 (0.37) DPP8DPP9RORC
SCHEMBL21451903 0.81 DDB1 (0.36) HDAC4RORCDDB1CRBNBDKRB1
SCHEMBL21452111 0.81 RORC (0.43) DPP8DPP9RORCDDB1CRBN

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-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

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-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT RIPK1 4508/4885HDAC4 2874/4885DPP8 734/4885

“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.