SCHEMBL1318221

SCHEMBL1318221

CCCCC(C(=O)O)N(c1cccc2c(-c3ccnc(N4CCOCC4)n3)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
EIF2AK2 P19525 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MTOR P42345 2/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1319380 0.88 CNR2 (0.40) PIK3CAPSEN1PSEN2APH1BNCSTN
SCHEMBL1319335 0.87 PIK3CA (0.38) PIK3CAMTORPSEN1PSEN2APH1B
SCHEMBL1320174 0.86 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1320053 0.83 PIK3CA (0.43) PIK3CACCNT1CCNA2CDK2CDK9
SCHEMBL1110407 0.83 PIK3CA (0.39) PIK3CACCNT1CDK9HCRTR1HCRTR2
SCHEMBL1110141 0.80 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12116609 0.79 PIK3CA (0.39) PIK3CACCNT1CCNA2CDK2CDK9
SCHEMBL1110368 0.76 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1319294 0.76 KDM4C (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1110384 0.76 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 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 (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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 PIK3CA 4590/4885CCNT1 1558/4885CCNA2 2138/4885

“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.