SCHEMBL21452238

SCHEMBL21452238

CC(C)(C)OC(=O)NC1(c2ccc(F)cc2C(F)(F)F)CCCC(O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
RORC P51449 3/20 0.35
P2RX7 Q99572 7/20 0.35
SCN9A Q15858 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
EPHX2 P34913 1/20 0.34
OPRL1 P41146 3/20 0.32
PDK2 Q15119 1/20 0.31

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
SCHEMBL22727639 0.87 LMNA (0.42) P2RX7SCN9ASCN10ALMNAPOLB
SCHEMBL21451908 0.87 LMNA (0.42) P2RX7SCN9ASCN10ALMNAPOLB
SCHEMBL21452452 0.84 LMNA (0.38) RORCP2RX7SCN9ALMNAPOLB
SCHEMBL21452533 0.84 SCN9A (0.39) DPP8DPP9RORCP2RX7SCN9A
SCHEMBL21452198 0.82 PDE2A (0.41) RORCLMNAPOLBEPHX2
SCHEMBL21452111 0.82 RORC (0.43) DPP8DPP9RORCSCN9A
SCHEMBL21451915 0.81 BDKRB1 (0.36) P2RX7OPRL1
SCHEMBL21451948 0.81 RIPK1 (0.33) DPP8DPP9RORC
SCHEMBL21452380 0.81 OPRM1 (0.39) DPP8DPP9RORCSCN9ALMNA
SCHEMBL23002199 0.80 BDKRB1 (0.34) DPP8DPP9RORCLMNAPOLB

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 DPP8 734/4885DPP9 1703/4885RORC 165/4885

“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.