SCHEMBL4546339

SCHEMBL4546339

Cc1cccc(N[S+](C)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NFKB1 P19838 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40

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
SCHEMBL20366874 0.79 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18856695 0.78 MEN1 (0.48) MAPTCYP3A4GAAALDH1A1MEN1
SCHEMBL20366871 0.76 MAPT (0.43) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26349166 0.76 MAPT (0.47) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7294193 0.75 TSHR (0.43) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12017939 0.73 IDH2 (0.49) MAPTHTTNPSR1GAAALDH1A1
SCHEMBL28679255 0.73 ENPP2 (0.42) ALDH1A1
SCHEMBL13650827 0.73 TSHR (0.40) HTTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL13148707 0.73 MAPT (0.42) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29650380 0.72 NPSR1 (0.86) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317278-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2021-04-14 EP disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
EP-2443123-B1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) RIGEL PHARMACEUTICALS INC (US) 2017-04-05 EP disclosed
US-8168827-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2012-05-01 US disclosed
US-8168827-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2012-05-01 US disclosed
US-20090258900-A1 AMIDE DERIVATIVE AJINOMOTO CO. INC (JP) 2009-10-15 US disclosed
US-20090258900-A1 AMIDE DERIVATIVE AJINOMOTO CO. INC (JP) 2009-10-15 US disclosed
WO-2007075468-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-05 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-20090258900-A1 AMIDE DERIVATIVE NR0B1, NR0B2, NR1I3 MAPT 4315/4885CYP1A2 387/4885CYP3A4 396/4885

“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.