SCHEMBL3202885

SCHEMBL3202885

CCC(C)N(C(C)CC)S(=O)(=O)c1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 2/20 0.35
CCR5 P51681 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GLA P06280 1/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL3203740 0.83 SMN1; SMN2 (0.46) LMNASMN1; SMN2HTTALDH1A1NPC1
SCHEMBL2338732 0.79 CA1 (0.50) SMN1; SMN2ALDH1A1PSEN1PSEN2APH1B
SCHEMBL1085990 0.73 LMNA (0.64) LMNASMN1; SMN2HTTALDH1A1NPC1
SCHEMBL3181881 0.73 TAS2R14 (0.58) LMNASMN1; SMN2HTTALDH1A1TAS2R14
SCHEMBL3193363 0.72 VCAM1 (0.44) LMNASMN1; SMN2HTTCCR5ALDH1A1
SCHEMBL3189814 0.72 TP53 (0.34) SMN1; SMN2HTTALDH1A1KDM4EGAA
SCHEMBL11687637 0.71 TAS2R14 (0.42) LMNASMN1; SMN2HTTCCR5NPC1
SCHEMBL7050296 0.70 LMNA (0.41) LMNASMN1; SMN2HTTALDH1A1NPC1
SCHEMBL483162 0.70 CA9 (0.57) LMNASMN1; SMN2HTTALDH1A1NPC1
SCHEMBL182553 0.70 ALDH1A1 (0.54) LMNASMN1; SMN2HTTALDH1A1NPC1

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-7678907-B2 Halogenation of rylen-carboximides with elementary halogen in a two-phase mixture comprising an organic solvent and water, wherein formed halogen hydroxide is continuously removable from the organic solvent BASF AKTIENGESSELLSCHAFT (DE) 2010-03-16 US disclosed
EP-1802622-B1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF SE (DE) 2008-04-23 EP disclosed
US-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 US disclosed
EP-1802622-A1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2007-07-04 EP disclosed
WO-2006037539-A1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2006-04-13 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-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent CYP8B1, HACL2, CTRB2 LMNA 3937/4885SMN1; SMN2 3469/4885HTT 16/4885

“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.