SCHEMBL5001561

SCHEMBL5001561

COCCn1ccc(OS(=O)(=O)C(F)(F)F)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.38
ACACB O00763 1/20 0.36
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD5 P21918 2/20 0.36
DRD3 P35462 2/20 0.36
NR1H2 P55055 3/20 0.36
NR1H3 Q13133 3/20 0.36
GLO1 Q04760 1/20 0.35
MAPK14 Q16539 1/20 0.35
HSD11B1 P28845 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34

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
SCHEMBL588855 0.78 HSD11B1 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL7656259 0.78 CXCR2 (0.33) MCHR1DRD2DRD1DRD4DRD5
SCHEMBL3665175 0.76 ALDH1A1 (0.40)
SCHEMBL7643485 0.74 HDAC6 (0.52) MCHR1MAPK14HSD11B1
SCHEMBL5010203 0.73 MAPK14 (0.68) MCHR1MAPK14
SCHEMBL5435745 0.72 MAPK14 (0.49) MCHR1MAPK14
SCHEMBL12180554 0.71 ACACB (0.43) MCHR1ACACBDRD2DRD3GLO1
SCHEMBL17083424 0.71 SMN1; SMN2 (0.47) MCHR1ACACBDRD2DRD3GLO1
SCHEMBL15653625 0.70 ACACB (0.42) MCHR1ACACBGLO1
SCHEMBL5005631 0.70 ACACB (0.44) MCHR1ACACBDRD2DRD3GLO1

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-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 US disclosed
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 EP disclosed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 US disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 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-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK MCHR1 1266/4885ACACB 1597/4885DRD2 4228/4885

“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.