SCHEMBL19684909

SCHEMBL19684909

Cc1ccc2c(c1OCc1ccccc1)CN(C(=O)OC(C)(C)C)[C@@H](C)CO2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.41
PTPN1 P18031 1/20 0.38
GPR119 Q8TDV5 3/20 0.36
GHSR Q92847 5/20 0.36
PARP1 P09874 1/20 0.36
FFAR1 O14842 1/20 0.35
STS P08842 1/20 0.35
PTGER4 P35408 2/20 0.34
PTGER3 P43115 2/20 0.34
PTGER2 P43116 2/20 0.34
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 0.34
PTGER1 P34995 1/20 0.34

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
SCHEMBL19667670 0.85 KLK7 (0.42) KLK7GPR119GHSRFFAR1AGTR2
SCHEMBL19684910 0.83 KLK7 (0.39) KLK7PTPN1GPR119GHSRFFAR1
SCHEMBL19679354 0.74 HSD11B1 (0.39)
SCHEMBL23735304 0.74 HSD11B1 (0.39)
SCHEMBL19667578 0.74 HSD11B1 (0.39)
SCHEMBL21881810 0.74 AGTR2 (0.52) PTPN1AGTR1AGTR2
SCHEMBL21881523 0.74 AGTR2 (0.52) PTPN1AGTR1AGTR2
SCHEMBL19684900 0.72 KCNH2 (0.40)
SCHEMBL20873484 0.72 FFAR1 (0.42) FFAR1PTGER4PTGER3PTGER2AGTR2
SCHEMBL20873486 0.72 FFAR1 (0.42) FFAR1PTGER4PTGER3PTGER2AGTR2

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
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-03-05 US disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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 (2 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP KLK7 3842/4885PTPN1 4606/4885GPR119 3953/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP KLK7 3842/4885PTPN1 4606/4885GPR119 3953/4885

“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.