SCHEMBL3002771

SCHEMBL3002771

CC(c1cccc(CCOS(C)(=O)=O)c1)c1ccc(OCc2ccccc2)nn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.35
FFAR1 O14842 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ALOX5 P09917 3/20 0.33
PKM P14618 1/20 0.33
PTGES O14684 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
BCHE P06276 1/20 0.32
MGLL Q99685 1/20 0.32
CYP19A1 P11511 1/20 0.31

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
SCHEMBL3007783 0.83 CYP4F2 (0.48) GAAALDH1A1FFAR1LMNAHTT
SCHEMBL2998944 0.80 FFAR1 (0.45) GAAALDH1A1FFAR1LMNAHTT
SCHEMBL3011586 0.78 MAOA (0.49) GAAALDH1A1FFAR1LMNAHTT
SCHEMBL2998991 0.75 FFAR1 (0.42) GAAALDH1A1FFAR1LMNAHTT
SCHEMBL3006786 0.72 FFAR1 (0.40) GAAALDH1A1FFAR1LMNAHTT
SCHEMBL3006050 0.72 FFAR1 (0.42) ALDH1A1FFAR1BCHEMGLL
SCHEMBL3000996 0.71 GAA (0.43) GAAALDH1A1FFAR1LMNAHTT
SCHEMBL21922352 0.70 GAA (0.53) GAAALDH1A1FFAR1LMNAHTT
SCHEMBL2997842 0.67 NPC1 (0.40) FFAR1CA1CA2CA9BCHE
SCHEMBL5691423 0.67 AR (0.56) FFAR1ALOX5CA1CA2CA9

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 3 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
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 GAA 892/4885ALDH1A1 3642/4885FFAR1 202/4885

“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.