SCHEMBL6754157

SCHEMBL6754157

O=C1CCN(C(=O)O)c2ccc(OC(F)(F)F)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
CHRM5 P08912 8/20 0.41
FFAR4 Q5NUL3 2/20 0.41
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
CES1 P23141 1/20 0.39
EPHX2 P34913 1/20 0.39
S1PR1 P21453 1/20 0.38
NOTUM Q6P988 1/20 0.38
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
RIPK1 Q13546 1/20 0.37
LRRK2 Q5S007 1/20 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
SCHEMBL6754903 0.84 LIPE (0.41) PDK1PDK2PDK3PDK4CHRM5
SCHEMBL15664326 0.80 NOTUM (0.51) LMNARAB9ANOTUMSRD5A1SRD5A2
SCHEMBL15663577 0.77 NOTUM (0.48) PDK1PDK2PDK3PDK4LMNA
SCHEMBL6757671 0.77 PDK1 (0.66) PDK1PDK2PDK3PDK4LMNA
SCHEMBL7385259 0.76 PDK1 (0.61) PDK1PDK2PDK3PDK4LMNA
SCHEMBL23705411 0.75 LMNA (0.45) PDK1PDK2PDK3PDK4LMNA
SCHEMBL5731072 0.71 LMNA (0.40) LMNARAB9ANOTUMSRD5A1SRD5A2
SCHEMBL28021992 0.70 LMNA (0.68) LMNARAB9ANOTUM
SCHEMBL26706343 0.70 MAOA (0.54) PDK1PDK2PDK3PDK4CES1
SCHEMBL8126748 0.69 PBRM1 (0.49) CHRM5CES1LRRK2

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-6713468-B2 AS ANTICONVULSANTS; FOR THERAPY AND PROPHYLAXIS OF ISCHAEMIAS, ANOXIA, NEURODEGENERATIVE DISEASES AVENTIS PHARMA S.A. (FR) 2004-03-30 US disclosed
US-20030055031-A1 Methods of using thiazolobenzoheterocycles RHONE-POULENC RORER S.A. 2003-03-20 US disclosed
US-6448241-B1 THESE COMPOUNDS ARE ANTICONVULSANTS AND INTERFERE WITH GLUTAMATERGIC TRANSMISSION AND ARE THEREFORE USEFUL FOR THE TREATMENT OR PREVENTION OF ALL ISCHAEMIAS FOLLOWING CEREBROVASCULAR ACCIDENTS AVENTIS PHARMA S.A. (FR) 2002-09-10 US disclosed
EP-0966473-B1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME AVENTIS PHARMA SA (FR) 2002-07-24 EP disclosed
US-6423715-B1 ANTICONVULSANTS AVENTIS PHARMA S.A. (FR) 2002-07-23 US disclosed
US-6288075-B1 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM, BRAIN, AND CARDIOVASCULAR DISORDERS RHONE-POULENC RORER S.A. (FR) 2001-09-11 US disclosed
EP-0966473-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME Aventis Pharma S.A. (FR) 1999-12-29 EP disclosed
WO-1998038194-A1 THIAZOLOBENZOHETEROCYCLES, PREPARATION AND MEDICINES CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-09-03 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-20030055031-A1 Methods of using thiazolobenzoheterocycles SLCO2B1, SLCO1B1, CYP21A2 PDK1 1490/4885PDK2 649/4885PDK3 1217/4885

“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.