SCHEMBL20822286

SCHEMBL20822286

CCC(=O)Cc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL18074272 0.80 CASP3 (0.67) CASP3CA1CA2CA4CA9
SCHEMBL1430310 0.79 CASP3 (0.65) CASP3CA1CA2CA4CA9
SCHEMBL1065287 0.79 CASP3 (0.65) CASP3CA1CA2CA4CA9
SCHEMBL29620255 0.79 KMT2A (0.56) CA9ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL1142116 0.78 CASP3 (0.86) CASP3CA1CA2CA4CA9
SCHEMBL29724090 0.78 CASP3 (0.86) CASP3CA1CA2CA4CA9
SCHEMBL20822267 0.78 CASP3 (0.52) CASP3CA1CA2CA4CA9
SCHEMBL6386416 0.77 SMN1; SMN2 (0.58) CASP3ALDH1A1MAPTKDM4EGAA
SCHEMBL19154591 0.76 CASP3 (0.56) CASP3CA1CA2CA4CA9
SCHEMBL21997414 0.76 CA1 (0.67) CASP3CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148693-A1 Chemical Compounds AVISTA PHARMA SOLUTIONS INC (US) 2020-05-14 US disclosed
US-20200148693-A1 Chemical Compounds AVISTA PHARMA SOLUTIONS INC (US) 2020-05-14 US disclosed
US-10570144-B2 Substituted ureas as prostaglandin EP4 receptor antagonists AVISTA PHARMA SOLUTIONS, INC. (US) 2020-02-25 US disclosed
US-10570144-B2 Substituted ureas as prostaglandin EP4 receptor antagonists AVISTA PHARMA SOLUTIONS, INC. (US) 2020-02-25 US disclosed
US-10239885-B1 Compound 1-[2-[4-(2-ethyl-6,8-dimethylimidazo[1,2-α]pyrazin-3-yl)phenyl]ethyl]-3-(p-tolylsulfonyl)urea as a prostaglandin EP4 receptor antagonist AVISTA PHARMA SOLUTIONS, INC. (US) 2019-03-26 US disclosed
US-10239885-B1 Compound 1-[2-[4-(2-ethyl-6,8-dimethylimidazo[1,2-α]pyrazin-3-yl)phenyl]ethyl]-3-(p-tolylsulfonyl)urea as a prostaglandin EP4 receptor antagonist AVISTA PHARMA SOLUTIONS, INC. (US) 2019-03-26 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 (3 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-20200148693-A1 Chemical Compounds PTGER4, PTGES, PTGER1 CASP3 2242/4885CA1 4155/4885CA2 1427/4885
US-10239885-B1 Compound 1-[2-[4-(2-ethyl-6,8-dimethylimidazo[1,2-α]pyrazin-3-yl)phenyl]ethyl]-3-(p-tolylsulfonyl)urea as a prostaglandin EP4 receptor antagonist PTGER4, PTGER1, PTGER2 CASP3 1672/4885CA1 4816/4885CA2 3142/4885
US-10570144-B2 Substituted ureas as prostaglandin EP4 receptor antagonists PTGER4, PTGER1, PTGER2 CASP3 2202/4885CA1 4523/4885CA2 3708/4885

“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.