SCHEMBL23970830

SCHEMBL23970830

CNc1cc(F)c(C(=O)OC)cc1NC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
POLB P06746 2/20 0.52
ATM Q13315 2/20 0.52
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
GAA P10253 4/20 0.39
TSHR P16473 4/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL13839229 0.91 KDM4E (0.50) KDM4EPOLBATMCA12CA1
SCHEMBL30514541 0.91 KDM4E (0.50) KDM4EPOLBATMCA12CA1
SCHEMBL2248317 0.86 KDM4E (0.46) KDM4EPOLBATMGAATSHR
SCHEMBL522786 0.83 CA12 (0.47) KDM4EPOLBATMCA12CA1
SCHEMBL12062556 0.83 KDM4E (0.44) KDM4EPOLBATMCA12CA1
SCHEMBL2249442 0.81 PDGFRB (0.46) KDM4EPOLBATMHPGDALDH1A1
SCHEMBL410165 0.79 ALPL (0.45) KDM4EPOLBATMCA12CA1
SCHEMBL13809962 0.79 KDM4E (0.39) KDM4EPOLBATMCA12CA1
SCHEMBL2082296 0.78 KDM4E (0.43) KDM4EPOLBATMCA12CA1
SCHEMBL13190097 0.77 ALDH1A1 (0.43) KDM4EPOLBCA12CA1CA2

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-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO 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-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 KDM4E 936/4885POLB 866/4885ATM 1354/4885

“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.