Sugi Predict

Sugi Predict / Compounds / SCHEMBL23970463

SCHEMBL23970463

SCHEMBL23970463

COC(=O)c1cc(N)c(NC2CC2)c(OC(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ PDE4D Q08499 7/20 0.37
▸ PDE4A P27815 6/20 0.37
▸ PDE4B Q07343 6/20 0.37

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
SCHEMBL30159106 0.85 KDM4E (0.43) L3MBTL1USP2ALOX15KDM4EALDH1A1
SCHEMBL23970462 0.85 KDM4E (0.43) L3MBTL1USP2ALOX15KDM4EALDH1A1
SCHEMBL18940642 0.83 USP2 (0.43) L3MBTL1USP2ALOX15KDM4EALDH1A1
SCHEMBL31215271 0.83 USP2 (0.43) L3MBTL1USP2ALOX15KDM4EALDH1A1
SCHEMBL23970790 0.81 HCAR3 (0.43) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL30158847 0.81 HCAR3 (0.43) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL23970710 0.80 KDM4E (0.42) L3MBTL1USP2ALOX15KDM4EALDH1A1
SCHEMBL30158941 0.80 KDM4E (0.42) L3MBTL1USP2ALOX15KDM4EALDH1A1
SCHEMBL18969560 0.78 USP2 (0.46) L3MBTL1USP2ALOX15KDM4EALDH1A1
SCHEMBL21820607 0.78 KDM4E (0.42) L3MBTL1USP2ALOX15KDM4EALDH1A1

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 L3MBTL1 2977/4885USP2 682/4885ALOX15 2895/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 L3MBTL1 2977/4885USP2 682/4885ALOX15 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.