SCHEMBL2998965

SCHEMBL2998965

CS(=O)(=O)OCCOc1ccc(CCc2ccc(Oc3ccccc3)nn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.47
HTR2A P28223 1/20 0.47
CHRM1 P11229 1/20 0.47
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
PPARG P37231 2/20 0.39
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
ACACB O00763 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
SLC2A1 P11166 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL2997842 0.88 NPC1 (0.40) HPGDCA12CA1CA2CA7
SCHEMBL2993288 0.81 MCHR1 (0.57) MCHR1HTR2ACHRM1LMNAGAA
SCHEMBL3006050 0.80 FFAR1 (0.42)
SCHEMBL3006052 0.78 FFAR1 (0.39) MCHR1LMNAGAAHPGDACACB
SCHEMBL2998991 0.78 FFAR1 (0.42) MCHR1LMNAGAAHPGDACACB
SCHEMBL24041771 0.78 CA1 (0.53) PPARGCA12CA1CA2CA7
SCHEMBL9714281 0.78 LTA4H (0.58) LTA4H
SCHEMBL3009333 0.76 LTA4H (0.65) MCHR1HTR2ACHRM1LTA4H
SCHEMBL4591505 0.75 MCHR1 (0.67) MCHR1HTR2ACHRM1PPARGLTA4H
SCHEMBL7976554 0.74 KCNA3 (0.52) LTA4H

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
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
EP-2102171-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R MCHR1 1/4885HTR2A 71/4885CHRM1 74/4885

“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.