SCHEMBL19684910

SCHEMBL19684910

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 7/20 0.39
PTPN1 P18031 1/20 0.38
NAAA Q02083 1/20 0.37
KLK5 Q9Y337 5/20 0.36
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
FFAR1 O14842 2/20 0.35
PTGER4 P35408 3/20 0.35
PTGER3 P43115 3/20 0.35
PTGER2 P43116 3/20 0.35
PTGER1 P34995 1/20 0.35
YAP1 P46937 1/20 0.34
HTR2C P28335 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
GHSR Q92847 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
SCHEMBL19667626 0.86 BRD4 (0.41) KLK7NAAAKLK5PRSS1PRSS2
SCHEMBL19684909 0.83 KLK7 (0.41) KLK7PTPN1FFAR1PTGER4PTGER3
SCHEMBL19684899 0.73 PRKCA (0.38) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20873490 0.73 BRD4 (0.43) NAAAFFAR1
SCHEMBL20873489 0.73 BRD4 (0.43) NAAAFFAR1
SCHEMBL19684906 0.72 PTPN1 (0.41) PTPN1FFAR1PTGER4PTGER3PTGER2
SCHEMBL19667670 0.71 KLK7 (0.42) KLK7FFAR1GPR119GHSR
SCHEMBL19679355 0.65 MAOA (0.42) KLK7GPR119GHSR
SCHEMBL21881810 0.64 AGTR2 (0.52) PTPN1
SCHEMBL21881523 0.64 AGTR2 (0.52) PTPN1

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 4606/4885NAAA 2304/4885
US-10220037-B2 Substituted carbonucleoside derivatives useful as anticancer agents DUT, NCL, TYMP KLK7 3842/4885PTPN1 4606/4885NAAA 2304/4885

“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.