SCHEMBL805309

SCHEMBL805309

Cn1c2c(c3cc(S(=O)(=O)Nc4cccc(F)c4)ccc31)CNCC2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 7/20 0.59
HTT P42858 2/20 0.59
HTR6 P50406 5/20 0.52
HTR1A P08908 2/20 0.52
HTR2C P28335 2/20 0.52
HTR7 P34969 2/20 0.52
TP53 P04637 4/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 1/20 0.44
PTGS1 P23219 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.41

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
SCHEMBL880288 0.89 PKM (0.54) PKMHTTHTR6HTR2CLMNA
SCHEMBL805308 0.88 TP53 (0.49) PKMHTTHTR6TP53LMNA
SCHEMBL10080983 0.85 HTR6 (0.59) HTR6HTR2CPTGS1
SCHEMBL801088 0.83 HTR6 (0.66) PKMHTTHTR6HTR1AHTR2C
SCHEMBL2246266 0.77 CYP3A4 (0.54) HTR2C
Hydrochloric Acid SCHEMBL2248886 0.76 CYP3A4 (0.53) HTR2CPTGS1
SCHEMBL10080981 0.76 HTR6 (0.66) HTR6HTR2CPTGS1
SCHEMBL10080982 0.74 HTR6 (0.59) HTR6PTGS1
SCHEMBL6038265 0.71 HTR6 (0.54) HTR6HTR2C
SCHEMBL801291 0.71 HTR6 (0.60) PKMHTTHTR6HTR1AHTR2C

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-2433939-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME Alla Chem, LLC. (US) 2012-03-28 EP disclosed
US-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2012-03-22 US disclosed
WO-2010134846-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME IVASHCHENKO ANDREY ALEXANDROVICH (RU) 2010-11-25 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-20120071493-A1 SUBSTITUTED 8-SULFONYL-2,3,4,5-TETRAHYDRO-1H-GAMMA-CARBOLINES, LIGANDS AND PHARMACEUTICAL COMPOSITION; METHOD FOR THE PRODUCTION AND USE OF SAME SIGMAR1, ADRA2C, ADRB2 PKM 3283/4885HTT 856/4885HTR6 69/4885

“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.