SCHEMBL22355152

SCHEMBL22355152

CO/C(O)=C1\CCC(OCc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KLK7 P49862 1/20 0.42
STS P08842 1/20 0.41
BCHE P06276 2/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
KDM1A O60341 1/20 0.39

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
SCHEMBL3249107 0.80 STS (0.58) NPC1RAB9ASMN1; SMN2STSHTT
SCHEMBL18555516 0.76 KLK7 (0.55) TMEM97CARM1PRMT6SIGMAR1PRMT8
SCHEMBL21493553 0.76 STS (0.54) NPC1RAB9ASMN1; SMN2KLK7STS
SCHEMBL8131049 0.76 STS (0.54) NPC1RAB9ASMN1; SMN2KLK7STS
SCHEMBL20503925 0.75 JAK2 (0.55) SMN1; SMN2KLK7STSBCHELMNA
SCHEMBL942191 0.75 JAK2 (0.55) SMN1; SMN2KLK7STSBCHELMNA
SCHEMBL697850 0.75 JAK2 (0.55) SMN1; SMN2KLK7STSBCHELMNA
SCHEMBL22323738 0.74 KLK7 (0.46) NPC1RAB9ASMN1; SMN2KLK7STS
SCHEMBL22333685 0.74 KLK7 (0.55) TMEM97CARM1PRMT6SIGMAR1PRMT8
SCHEMBL16978825 0.74 KLK7 (0.55) TMEM97CARM1PRMT6SIGMAR1PRMT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH TMEM97 3831/4885CARM1 4455/4885PRMT6 4449/4885

“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.