SCHEMBL23301730

SCHEMBL23301730

COC(=O)C(O)c1c(F)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RIPK1 Q13546 1/20 0.41
MAPT P10636 1/20 0.40
NR3C2 P08235 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 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
SCHEMBL29723949 1.00 CES2 (0.45) CES2CES1SMN1; SMN2LMNARAB9A
SCHEMBL21379847 0.88 CES2 (0.56) CES2CES1RAB9AGAAALDH1A1
SCHEMBL4503443 0.85 SMN1; SMN2 (0.43) SMN1; SMN2LMNARAB9AGAAALDH1A1
SCHEMBL16584949 0.84 RIPK1 (0.43) SMN1; SMN2LMNARAB9AGAAALDH1A1
SCHEMBL23301921 0.80 CES2 (0.50) CES2CES1LMNAGAAALDH1A1
SCHEMBL29723941 0.80 CES2 (0.50) CES2CES1LMNAGAAALDH1A1
SCHEMBL29907852 0.78 CES2 (0.42) CES2CES1SMN1; SMN2RAB9AGAA
SCHEMBL23270664 0.78 CES2 (0.42) CES2CES1SMN1; SMN2RAB9AGAA
SCHEMBL11039504 0.78 CES2 (0.49) CES2CES1GAAALDH1A1RIPK1
SCHEMBL26690540 0.77 CASP1 (0.41) CES2CES1SMN1; SMN2LMNANR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166622-A1 FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. 2024-05-23 US disclosed
EP-4051671-A1 FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES Janssen Biotech, Inc. (US) 2022-09-07 EP disclosed
CN-114630826-A Fluorinated quinoline, quinoxaline and benzo [ b ] [1,4] oxazine derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases 詹森生物科技公司 2022-06-14 CN disclosed
WO-2021084498-A1 FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES JANSSEN BIOTECH, INC. (US) 2021-05-06 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 (1 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-20240166622-A1 FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES DHODH, XDH, NQO2 CES2 1899/4885CES1 327/4885SMN1; SMN2 4481/4885

“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.