SCHEMBL2637598

SCHEMBL2637598

O=C1NCCC12CCN(S(=O)(=O)c1cccc(C(F)(F)F)c1)CC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
PKM P14618 1/20 0.51
PKLR P30613 1/20 0.51
HSD11B1 P28845 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.48
CNR1 P21554 1/20 0.47
CACNA1B Q00975 3/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 1/20 0.46

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
SCHEMBL2637485 0.93 HTT (0.52) HTTPKMPKLRHSD11B1KDM4E
SCHEMBL2637373 0.88 IDO1 (0.49) HTTCNR1GAASMN1; SMN2IDO1
SCHEMBL2634767 0.87 HTT (0.47) HTTPKMPKLRHSD11B1KDM4E
SCHEMBL2637421 0.85 ALDH1A1 (0.50) HSD11B1KDM4EGAAMEN1KMT2A
SCHEMBL2637486 0.84 MEN1 (0.46) PKMPKLRLMNAMEN1KMT2A
SCHEMBL2637213 0.84 IDO1 (0.46) HTTPKMCNR1CACNA1BGAA
SCHEMBL2637460 0.83 IDO1 (0.47) HTTLMNACNR1GAAMEN1
SCHEMBL2638708 0.83 IDO1 (0.45) CNR1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL2637275 0.83 CNR1 (0.47) HTTHSD11B1CNR1GAASMN1; SMN2
SCHEMBL2635267 0.82 HTT (0.47) HTTPKMPKLRHSD11B1KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116270-A1 NOVEL COMPOUNDS CONVERGENCE PHARMACEUTICALS LIMTED 2013-05-09 US claimed
EP-2569318-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-03-20 EP claimed
WO-2011141729-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-11-17 WO claimed
US-20130116270-A1 NOVEL COMPOUNDS CONVERGENCE PHARMACEUTICALS LIMTED 2013-05-09 US disclosed
US-20130116270-A1 NOVEL COMPOUNDS CONVERGENCE PHARMACEUTICALS LIMTED 2013-05-09 US disclosed
US-20130116270-A1 NOVEL COMPOUNDS CONVERGENCE PHARMACEUTICALS LIMTED 2013-05-09 US disclosed
EP-2569318-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2013-03-20 EP disclosed
WO-2011141729-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-11-17 WO disclosed
WO-2011141729-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-11-17 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-20130116270-A1 NOVEL COMPOUNDS TRPV2, CACNA1C, CACNA1B HTT 1806/4885PKM 3214/4885PKLR 2850/4885

“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.