SCHEMBL23970622

SCHEMBL23970622

CC(C)(C)OC(=O)c1c(F)ccnc1CCCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.41
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 3/20 0.34
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
ALDH1A1 P00352 2/20 0.32
GLA P06280 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HIF1A Q16665 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
RXRA P19793 2/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL30158915 1.00 SSTR4 (0.41) SSTR4TDP1KDM4ECYP4F2CYP4A11
SCHEMBL23970566 0.80 SSTR4 (0.38) SSTR4TDP1KDM4ECYP4F2CYP4A11
SCHEMBL23971276 0.78 TDP1 (0.39) SSTR4TDP1KDM4ECYP4F2CYP4A11
SCHEMBL30410313 0.78 TDP1 (0.39) SSTR4TDP1KDM4ECYP4F2CYP4A11
SCHEMBL23971080 0.78 TDP1 (0.39) SSTR4TDP1KDM4ECYP4F2CYP4A11
SCHEMBL23970752 0.77 PPARA (0.39) TDP1CYP4F2CYP4A11
SCHEMBL23971066 0.76 TDP1 (0.35) TDP1KDM4ECYP4F2CYP4A11ALDH1A1
SCHEMBL23971324 0.76 TDP1 (0.35) SSTR4TDP1KDM4ECYP4F2CYP4A11
SCHEMBL14741153 0.75 SSTR4 (0.38) SSTR4KDM4EALDH1A1GLAGAA
SCHEMBL23970620 0.75 ATR (0.40) SSTR4TDP1KDM4ECYP4F2CYP4A11

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 SSTR4 2144/4885TDP1 199/4885KDM4E 936/4885

“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.