SCHEMBL6589434

SCHEMBL6589434

Cc1c(S(=O)(=O)c2ccccc2)c2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2n1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.49
▸ HTR6 P50406 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.42
▸ BACE1 P56817 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ GBA1 P04062 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ TGFBR1 P36897 1/20 0.40
▸ KIT P10721 1/20 0.39

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
SCHEMBL5203242 0.83 HTR6 (0.52) PIK3CAHTR6GPR119BACE1CKS1B
SCHEMBL5203019 0.81 HTR6 (0.46) PIK3CAHTR6GPR119BACE1CKS1B
SCHEMBL5203252 0.80 PIK3CA (0.49) PIK3CAGPR119BACE1CKS1BSKP1
SCHEMBL6591174 0.80 HTR6 (0.54) HTR6
SCHEMBL4867662 0.78 PIK3CA (0.49) PIK3CAHTR6GPR119BACE1CKS1B
SCHEMBL5202405 0.77 HTR6 (0.70) PIK3CAHTR6GPR119BACE1CKS1B
SCHEMBL6581755 0.77 HTR6 (0.64) PIK3CAHTR6GPR119BACE1CKS1B
SCHEMBL3831589 0.77 PIK3CA (0.51) PIK3CAHTR6MEN1KMT2AGPR119
SCHEMBL3827483 0.76 PIK3CA (0.66) PIK3CAHTR6GPR119LMNAMAPT
SCHEMBL14445210 0.76 PIK3CA (0.49) PIK3CAGPR119BACE1CKS1BSKP1

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
US-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders SMITHKLINE BEECHAM PLC (GB) 2004-12-02 — — US disclosed
EP-1414442-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-05-06 — — EP disclosed
WO-2003013510-A1 3-ARYLSULFONYL-7-PIPERAZINYL- INDOLES, -BENZOFURANS AND -BENZOTHIOPHENES WITH 5-HT6 RECEPTOR AFFINITY FOR TREATING CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-02-20 — — 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-20040242589-A1 3-arylsulfonyl-7-piperzinyl-indoles-benzofurans and -benzothiophenes with 5-ht6 receptor affinity for treating cns disorders HTR6, HTR7, HTR1A PIK3CA 4308/4885HTR6 1/4885MEN1 3256/4885

“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.

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