SCHEMBL22096754

SCHEMBL22096754

C[C@H]1C(=O)C=C(O)N1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.40
MAPK1 P28482 1/20 0.40
BCHE P06276 1/20 0.36
KLK5 Q9Y337 6/20 0.36
PRSS1 P07477 3/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ELANE P08246 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
ESR2 Q92731 1/20 0.32
BUB1 O43683 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 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
SCHEMBL27635233 0.77 MAPK1 (0.43) KLK7MAPK1BCHEKLK5PRSS1
SCHEMBL18593027 0.77 MAPK1 (0.43) KLK7MAPK1BCHEKLK5PRSS1
SCHEMBL20476783 0.74
SCHEMBL13409204 0.74 USP2 (0.40) KLK7MAPK1BCHEKDM4EMAPT
SCHEMBL31750269 0.72 KLK7 (0.36) KLK7MAPK1BCHEKLK5PRSS1
SCHEMBL34473806 0.72 KLK7 (0.36) KLK7MAPK1BCHEKLK5PRSS1
SCHEMBL13391280 0.69 USP2 (0.36) KLK7BCHEKLK5PRSS1PRSS2
SCHEMBL8988562 0.69 KLK7 (0.34) KLK7MAPK1BCHEKLK5PRSS1
SCHEMBL483259 0.68 CHRM2 (0.43) KLK7MAPK1KDM4EMAPTTHRB
SCHEMBL20406585 0.68 CHRM2 (0.43) KLK7MAPK1KDM4EMAPTTHRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634409-B1 OREXIN RECEPTOR ANTAGONISTS BENEVOLENTAI BIO LTD (GB) 2021-04-07 EP disclosed
US-20200190090-A1 OREXIN RECEPTOR ANTAGONISTS BENEVOLENTAI BIO LIMITED (GB) 2020-06-18 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-20200190090-A1 OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR KLK7 3268/4885MAPK1 1376/4885BCHE 2574/4885

“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.