SCHEMBL23970466

SCHEMBL23970466

COC(=O)c1ccc(NC2CC2)c(N)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.50
YAP1 P46937 1/20 0.47
ALOX15 P16050 1/20 0.41
ROCK2 O75116 2/20 0.39
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 6/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
CFTR P13569 2/20 0.38
ABL1 P00519 1/20 0.38
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30158905 1.00 PTGER4 (0.50) PTGER4YAP1ALOX15ROCK2ALDH1A1
SCHEMBL17009810 0.84 PTGER4 (0.42) PTGER4YAP1ALOX15ALDH1A1KDM4E
SCHEMBL5116377 0.79 PTGER4 (0.62) PTGER4YAP1ALOX15ALDH1A1KDM4E
SCHEMBL24928885 0.77 PTGER4 (0.43) PTGER4ALOX15ALDH1A1KDM4EHSD17B10
SCHEMBL23648008 0.76 ABL1 (0.51) PTGER4ALOX15ALDH1A1KDM4EHSD17B10
SCHEMBL29771218 0.76 ABL1 (0.51) PTGER4ALOX15ALDH1A1KDM4EHSD17B10
SCHEMBL6782184 0.75 ALDH1A1 (0.46) PTGER4YAP1ROCK2ALDH1A1KDM4E
SCHEMBL6782179 0.75 ALDH1A1 (0.46) PTGER4YAP1ROCK2ALDH1A1KDM4E
SCHEMBL23970709 0.74 ROCK2 (0.51) YAP1ALOX15ROCK2ALDH1A1KDM4E
SCHEMBL30850093 0.74 ROCK2 (0.51) YAP1ALOX15ROCK2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976083-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO 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 (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-11976083-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 PTGER4 2676/4885YAP1 4629/4885ALOX15 2895/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 PTGER4 2676/4885YAP1 4629/4885ALOX15 2895/4885

“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.