SCHEMBL6027128

SCHEMBL6027128

CC(C)(C)OC(=O)N1CCN(Cc2cc(=O)c(OCCCCCSc3ccnc4cc(C(F)(F)F)ccc34)co2)CC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 3/20 0.76
RAC2 P15153 1/20 0.76
RAC3 P60763 1/20 0.76
LDHA P00338 7/20 0.38
RXFP1 Q9HBX9 1/20 0.36
APLNR P35414 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDK2 Q15119 2/20 0.35
MGLL Q99685 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL1462494 0.92 RAC1 (0.78) RAC1RAC2RAC3LDHAAPLNR
SCHEMBL1461330 0.92 RAC1 (0.80) RAC1RAC2RAC3LDHAAPLNR
SCHEMBL1461466 0.91 RAC1 (0.81) RAC1RAC2RAC3LDHAAPLNR
SCHEMBL4166793 0.90 RAC1 (0.75) RAC1RAC2RAC3LDHAAPLNR
SCHEMBL4159530 0.90 RAC1 (0.77) RAC1RAC2RAC3LDHAAPLNR
SCHEMBL1461829 0.89 RAC1 (0.84) RAC1RAC2RAC3LDHAAPLNR
SCHEMBL4160521 0.89 RAC1 (0.75) RAC1RAC2RAC3LDHAAPLNR
SCHEMBL4157523 0.89 RAC1 (0.75) RAC1RAC2RAC3LDHAAPLNR
Hydrochloric Acid SCHEMBL1461295 0.88 RAC1 (0.85) RAC1RAC2RAC3LDHAAPLNR
SCHEMBL1460422 0.87 RAC1 (0.87) RAC1RAC2RAC3LDHAAPLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597253-B1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2006-08-09 EP claimed
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2009-08-27 US disclosed
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2009-08-27 US disclosed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US disclosed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US 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-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS RB1, ALDH1A2, CDK4 RAC1 789/4885RAC2 1544/4885RAC3 1222/4885

“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.