SCHEMBL1877679

SCHEMBL1877679

CCCCN(c1cccc(C(=O)/C=C/N(C)C)c1)S(=O)(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 5/20 0.50
HTT P42858 4/20 0.50
GAA P10253 3/20 0.50
HPGD P15428 2/20 0.50
RECQL P46063 2/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
GRM2 Q14416 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALOX12 P18054 1/20 0.39
ESR1 P03372 1/20 0.38
P4HB P07237 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
SCHEMBL1877681 1.00 MAPT (0.50) MAPTALDH1A1HTTGAAHPGD
SCHEMBL1883915 0.93 MAPT (0.52) MAPTALDH1A1HTTGAAHPGD
SCHEMBL1883916 0.93 MAPT (0.52) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4703899 0.92 MAPT (0.49) MAPTALDH1A1HTTGAAHPGD
SCHEMBL1876859 0.92 MAPT (0.49) MAPTALDH1A1HTTGAAHPGD
SCHEMBL1874352 0.89 MAPT (0.53) MAPTALDH1A1HTTGAAHPGD
SCHEMBL1874354 0.89 MAPT (0.53) MAPTALDH1A1HTTGAAHPGD
SCHEMBL1875085 0.89 MAPT (0.46) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4703553 0.89 MAPT (0.46) MAPTALDH1A1HTTGAAHPGD
SCHEMBL4704761 0.88 ESR1 (0.53) MAPTALDH1A1HTTGAAHPGD

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-7947688-B2 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL, S.A. (ES) 2011-05-24 US disclosed
EP-1648897-B1 N- [3-(3-SUBSTITUTED-PYRAZOLO[1,5-A] PYRIMIDIN-7-YL) PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INT (ES) 2008-12-10 EP disclosed
EP-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 EP disclosed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 US disclosed
US-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL S.A. (ES) 2006-11-30 US 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 (2 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-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines GABRB1, GABRA1, GABRB2 MAPT 2772/4885ALDH1A1 113/4885HTT 3899/4885
US-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto GABRA2, GABRA1, GABRA3 MAPT 3005/4885ALDH1A1 277/4885HTT 3306/4885

“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.