SCHEMBL3461804

SCHEMBL3461804

COc1cc(NC(=O)Nc2ccccc2)ccc1N(CCCOC(C)(C)C)S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.43
MAPT P10636 8/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
CNR1 P21554 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTR2C P28335 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP19A1 P11511 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL3460076 0.90 MCHR1 (0.48) MCHR1MAPTKMT2ALMNAKDM4E
SCHEMBL3461085 0.84 CNR1 (0.51) MCHR1MAPTKMT2ALMNAKDM4E
SCHEMBL3462473 0.83 GAA (0.34) MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3460999 0.80 LMNA (0.40) MAPTKMT2ALMNAKDM4EALDH1A1
SCHEMBL3461493 0.78 MAPT (0.44) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL3460910 0.76 CNR1 (0.47) MCHR1MAPTKMT2AKDM4EALDH1A1
SCHEMBL3461216 0.76 MGLL (0.47) MAPTLMNAALDH1A1CNR1CA12
SCHEMBL3459990 0.75 ALDH1A1 (0.48) MAPTALDH1A1CNR1CA12CA1
SCHEMBL7803343 0.74 MAPT (0.69) MAPTKMT2ALMNAKDM4EALDH1A1
SCHEMBL3461375 0.74 CNR1 (0.54) MAPTKMT2AKDM4EMEN1CNR1

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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B MCHR1 4439/4885MAPT 2831/4885KMT2A 2144/4885

“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.