SCHEMBL4591949

SCHEMBL4591949

O=S(=O)(Oc1ccc(OCc2ccccc2)nn1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GRM5 P41594 1/20 0.39
CA2 P00918 2/20 0.39
PTPRZ1 P23471 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MGLL Q99685 1/20 0.38
CXCR2 P25025 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
AR P10275 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL4274920 0.80 LMNA (0.55) PKMLMNAHTTGAAALDH1A1
SCHEMBL8499207 0.78 CA12 (0.58) LMNAGAACA2PTPRZ1CA12
SCHEMBL4456329 0.77 PKM (0.43) PKMLMNAHTTGAAALDH1A1
SCHEMBL28348179 0.74 GABRG2 (0.40) LMNACA2CA12CA1CA4
SCHEMBL17480046 0.74 SMN1; SMN2 (0.42) HTT
SCHEMBL7370965 0.73 AKR1B1 (0.40) LMNAHTTALDH1A1CA2CA12
SCHEMBL5763922 0.72 CXCR2 (0.33) LMNAALDH1A1CA2CA1CXCR2
SCHEMBL3002786 0.72 LMNA (0.49) PKMLMNAHTTGAAALDH1A1
SCHEMBL591400 0.72 MAPT (0.46) MGLLMRGPRX4
SCHEMBL28747791 0.71 PKM (0.46) PKMLMNAHTTGAAALDH1A1

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
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 PKM 2798/4885LMNA 4192/4885HTT 582/4885

“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.