SCHEMBL2998944

SCHEMBL2998944

CS(=O)(=O)OCCc1cccc(CCc2ccc(OCc3ccccc3)nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.36
GAA P10253 2/20 0.36
MCHR1 Q99705 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MGLL Q99685 1/20 0.35
NPC1 O15118 1/20 0.34
AR P10275 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCB1 P08183 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
MAOB P27338 1/20 0.33

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
SCHEMBL2998991 0.93 FFAR1 (0.42) FFAR1ALDH1A1LMNAHTTPKM
SCHEMBL3006050 0.89 FFAR1 (0.42) FFAR1ALDH1A1MGLLABCB1HTR1A
SCHEMBL3006786 0.88 FFAR1 (0.40) FFAR1ALDH1A1LMNAHTTPKM
SCHEMBL2997842 0.84 NPC1 (0.40) FFAR1CA1CA2CA9MGLL
SCHEMBL3006052 0.81 FFAR1 (0.39) FFAR1ALDH1A1LMNAHTTPKM
SCHEMBL3002771 0.80 GAA (0.38) FFAR1ALDH1A1LMNAHTTPKM
SCHEMBL3007785 0.79 CYP4F2 (0.55) FFAR1ALDH1A1LMNAHTTPKM
SCHEMBL2996629 0.76 MAOA (0.53) FFAR1ALDH1A1LMNAHTTPKM
SCHEMBL3008131 0.76 FFAR1 (0.38) FFAR1ALDH1A1LMNAHTTPKM
SCHEMBL3008337 0.74 CYP4F2 (0.56) FFAR1ALDH1A1MCHR1ABCB1HTR1A

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 FFAR1 202/4885ALDH1A1 3642/4885LMNA 3552/4885

“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.