SCHEMBL7825840

SCHEMBL7825840

O=C(O)c1cnc2ccc(OC(F)(F)F)cc2c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
DHODH Q02127 3/20 0.50
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
RUNX1 Q01196 1/20 0.46
KDM4C Q9H3R0 2/20 0.45
LMNA P02545 1/20 0.44
EGLN1 Q9GZT9 1/20 0.41
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
PIM1 P11309 1/20 0.40
HDAC3 O15379 1/20 0.39
APP P05067 1/20 0.39
ACHE P22303 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL30067699 1.00 TP53 (0.54) TP53DHODHAKR1C2AKR1C1RUNX1
SCHEMBL19877065 0.89 TP53 (0.47) TP53DHODHAKR1C2AKR1C1RUNX1
SCHEMBL6197990 0.84 TP53 (0.63) TP53LMNAKDM4EALDH1A1HPGD
SCHEMBL6148137 0.82 LMNA (0.65) TP53DHODHLMNAKDM4EALDH1A1
SCHEMBL15129852 0.81 LMNA (0.68) TP53DHODHAKR1C2AKR1C1RUNX1
SCHEMBL4748370 0.80 MCL1 (0.48) DHODHLMNAEGLN1HPGDTSHR
SCHEMBL28054675 0.80 ALDH1A1 (0.53) TP53KDM4CLMNAEGLN1KDM4E
SCHEMBL14339847 0.79 TP53 (0.44) TP53DHODHRUNX1KDM4CLMNA
SCHEMBL7688966 0.79 DHODH (0.47) DHODHKDM4CAURKAPIM1KDM4E
SCHEMBL22589454 0.77 TP53 (0.46) TP53DHODHAKR1C2AKR1C1RUNX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-21 US disclosed
US-20240376055-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-11-14 US disclosed
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-09-26 US disclosed
EP-4192812-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-09-04 EP disclosed
US-20240270715-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-08-15 US disclosed
EP-4192813-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-08-14 EP disclosed
EP-4192814-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2024-08-07 EP disclosed
CN-117616011-A Inhibitors of transglutaminase 策迪拉有限公司 2024-02-27 CN disclosed
CN-117561240-A Inhibitors of transglutaminase 策迪拉有限公司 2024-02-13 CN disclosed
CN-117561241-A Inhibitors of transglutaminase 策迪拉有限公司 2024-02-13 CN disclosed
EP-4192814-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2023-06-14 EP disclosed
EP-4192813-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2023-06-14 EP disclosed
EP-4192812-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2023-06-14 EP disclosed
WO-2023275336-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275333-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2020219729-A1 PAPD5 INHIBITORS AND METHODS OF USE THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-10-29 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (4 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-20240383856-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 TP53 4553/4885DHODH 519/4885AKR1C2 1219/4885
US-20240376055-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 TP53 4553/4885DHODH 519/4885AKR1C2 1219/4885
US-20240317708-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 TP53 4553/4885DHODH 519/4885AKR1C2 1219/4885
US-20240270715-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 TP53 4553/4885DHODH 519/4885AKR1C2 1219/4885

“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.