SCHEMBL22370612

SCHEMBL22370612

CNc1cccc(CC(NCC(F)(F)F)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
ACE P12821 2/20 0.41
TP53 P04637 1/20 0.40
ECE1 P42892 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
FOLH1 Q04609 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
IDH2 P48735 1/20 0.38
SLC7A5 Q01650 1/20 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
SCHEMBL22370611 1.00 FPR2 (0.43) FPR2ITGB3ITGAVACETP53
SCHEMBL22370764 0.88 CA12 (0.43) NOS3NOS1NOS2PDK1PDK2
SCHEMBL22370761 0.88 CA12 (0.43) NOS3NOS1NOS2PDK1PDK2
SCHEMBL6770155 0.82 ACE (0.54) FPR2ACEECE1
SCHEMBL28452308 0.82 ACE (0.43) FPR2ITGB3ITGAVACEECE1
SCHEMBL29253180 0.78 NOS3 (0.41) FPR2ITGB3ITGAVACENOS3
SCHEMBL28456257 0.78 CYP2D6 (0.46) TP53L3MBTL1SMN1; SMN2
SCHEMBL28680922 0.75 ACE (0.63) ITGB3ITGAVACE
SCHEMBL6769409 0.74 ACE (0.56) ACEFOLH1L3MBTL1SLC7A5
SCHEMBL6776043 0.74 NOS3 (0.67) NOS3NOS1NOS2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710458-B1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2026-03-25 EP disclosed
US-12312370-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2025-05-27 US disclosed
US-20240199655-A1 Immunoproteasome Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-06-20 US disclosed
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-20220073538-A1 Immunoproteasome Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-03-10 US disclosed
US-11225493-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-01-18 US disclosed
EP-3710458-A1 IMMUNOPROTEASOME INHIBITORS Principia Biopharma Inc. (US) 2020-09-23 EP disclosed
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2020-09-03 US disclosed
CN-111491938-A Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2020-08-04 CN 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 (6 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-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 FPR2 4361/4885ITGB3 4803/4885ITGAV 4595/4885
US-20240199655-A1 Immunoproteasome Inhibitors PSMC2, PSMB7, PSMB2 FPR2 4361/4885ITGB3 4803/4885ITGAV 4595/4885
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 FPR2 4361/4885ITGB3 4803/4885ITGAV 4595/4885
US-12312370-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 FPR2 4361/4885ITGB3 4803/4885ITGAV 4595/4885
US-11225493-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 FPR2 4361/4885ITGB3 4803/4885ITGAV 4595/4885
US-20220073538-A1 Immunoproteasome Inhibitors PSMC2, PSMB7, PSMB2 FPR2 4361/4885ITGB3 4803/4885ITGAV 4595/4885

“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.