SCHEMBL22233152

SCHEMBL22233152

CC(C)(C)OC(=O)n1nccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
ELANE P08246 2/20 0.37
BCHE P06276 1/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
POLB P06746 1/20 0.35
ABCB1 P08183 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
USP2 O75604 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
SCD5 Q86SK9 1/20 0.34
SCD O00767 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL28739878 0.87 ELANE (0.42) FAAHELANEBCHEF2PLAU
SCHEMBL344479 0.80 ALDH1A1 (0.39) FAAHELANEF2PLAUKLKB1
SCHEMBL693588 0.79 FAAH (0.41) FAAHELANEBCHEPOLBABCB1
SCHEMBL1864917 0.78 FAAH (0.40) FAAHELANEBCHEPOLBGPR119
SCHEMBL22501848 0.78 ELANE (0.44) FAAHELANEBCHEPOLBGPR119
SCHEMBL22951279 0.78 FAAH (0.40) FAAHELANEBCHEPOLBABCB1
SCHEMBL362915 0.75 FAAH (0.38) FAAHELANEBCHEPOLBABCB1
SCHEMBL16630273 0.75 GABRA1 (0.40) FAAHELANEBCHEPOLBGPR119
SCHEMBL30879097 0.75 FAAH (0.41) FAAHELANEBCHEPOLBABCB1
SCHEMBL3815163 0.75 F2 (0.39) ELANEF2PLAUKLKB1SMN1; SMN2

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
CN-113301901-B Tetrazolinone substituted steroids and uses thereof 北京轩义医药科技有限公司 2022-09-09 CN disclosed
US-20220089636-A1 TETRAZOLONE SUBSTITUTED STEROIDS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2022-03-24 US disclosed
EP-3911331-A1 TETRAZOLONE SUBSTITUTED STEROIDS AND USE THEREOF Beijing Xuanyi Pharmasciences Co., Ltd. (CN) 2021-11-24 EP disclosed
CN-113301901-A Tetrazolinone substituted steroids and uses thereof 北京轩义医药科技有限公司 2021-08-24 CN disclosed
WO-2020150210-A1 TETRAZOLONE SUBSTITUTED STEROIDS AND USE THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2020-07-23 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 (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-20220089636-A1 TETRAZOLONE SUBSTITUTED STEROIDS AND USE THEREOF CACNA1I, TAAR5, TAAR1 FAAH 642/4885ELANE 3516/4885BCHE 4021/4885

“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.