Sugi Predict

Sugi Predict / Compounds / SCHEMBL23970914

SCHEMBL23970914

SCHEMBL23970914

CNc1cc(C(F)(F)F)c(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FLT1 P17948 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ HCAR3 P49019 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ CFTR P13569 1/20 0.41
▸ PARP14 Q460N5 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ AR P10275 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CES2 O00748 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL5167902 0.84 CFTR (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2242413 0.83 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12353596 0.83 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2239932 0.83 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL15323319 0.83 PDGFRB (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2425959 0.82 CFTR (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2239650 0.82 TDP1 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2249442 0.82 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2035638 0.81 CFTR (0.43) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2696693 0.80 PDGFRB (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3

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 PDGFRB 2177/4885FGFR1 3868/4885PDGFRA 2983/4885
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 PDGFRB 2177/4885FGFR1 3868/4885PDGFRA 2983/4885

“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.