SCHEMBL1320168

SCHEMBL1320168

CC(C(=O)O)N(c1ccc2c(C(=O)NCc3ccc(CN)cc3)cccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
KLKB1 P03952 4/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HCRTR1 O43613 1/20 0.37
PPARG P37231 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1319036 0.94 KCNA5 (0.41) POLA1CA1CA2HDAC2HDAC3
Hydrochloric Acid SCHEMBL1110586 0.91 HDAC2 (0.40) POLA1KLKB1HDAC2HDAC3HDAC4
SCHEMBL1110380 0.90 AKR1B1 (0.40) POLA1KLKB1HDAC2HDAC3HDAC4
SCHEMBL1110201 0.89 POLA1 (0.36) POLA1HDAC2HDAC3HDAC4HDAC1
SCHEMBL1110200 0.87 POLA1 (0.34) POLA1CA1CA2HDAC2HDAC3
SCHEMBL1319769 0.84 GAA (0.42) POLA1CA1CA2KLKB1HDAC2
SCHEMBL12119245 0.82 POLA1 (0.39) POLA1CA1CA2KLKB1HDAC2
SCHEMBL13658810 0.80 LMNA (0.39) POLA1KLKB1POLBKLK1
SCHEMBL3280423 0.80 AKR1B1 (0.38) POLA1CA1CA2KLKB1HDAC2
SCHEMBL1319479 0.80 NSD2 (0.47) CA1CA2MEN1HCRTR1KMT2A

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 POLA1 3199/4885CA1 4638/4885CA2 3894/4885

“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.