Sugi Predict

Sugi Predict / Compounds / SCHEMBL3006786

SCHEMBL3006786

SCHEMBL3006786

CS(=O)(=O)OCCc1ccc(CCc2ccc(OCc3ccccc3)nn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.40
▸ MCHR1 Q99705 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ACACB O00763 2/20 0.34
▸ ENPP2 Q13822 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ AR P10275 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.32

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 0.92 FFAR1 (0.42) FFAR1MCHR1LMNAHTTPKM
SCHEMBL2998944 0.88 FFAR1 (0.45) FFAR1MCHR1LMNAHTTPKM
SCHEMBL3006052 0.87 FFAR1 (0.39) FFAR1MCHR1LMNAHTTPKM
SCHEMBL2997842 0.83 NPC1 (0.40) FFAR1CA1CA2CA9NPC1
SCHEMBL3003517 0.80 MCHR1 (0.44) FFAR1MCHR1LMNAHTTPKM
SCHEMBL3001610 0.80 MCHR1 (0.44) FFAR1MCHR1LMNAHTTPKM
SCHEMBL3006050 0.80 FFAR1 (0.42) FFAR1ALDH1A1
SCHEMBL3013909 0.78 MCHR1 (0.44) FFAR1MCHR1LMNAHTTPKM
SCHEMBL2996145 0.77 MCHR1 (0.44) FFAR1MCHR1LMNAHTTPKM
SCHEMBL3006825 0.77 MCHR1 (0.44) FFAR1MCHR1LMNAHTTPKM

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 6 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
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 202/4885MCHR1 1/4885LMNA 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.