SCHEMBL12119239

SCHEMBL12119239

CN(C)C(=O)c1ccc(CNC(=O)c2cccc3cc(N(CC(=O)OC(C)(C)C)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HDAC2 Q92769 3/20 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
RORC P51449 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLA1 P09884 1/20 0.36
GAA P10253 1/20 0.35
HSD11B1 P28845 1/20 0.34
KMT2A Q03164 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
SCHEMBL12119293 0.93 ROCK2 (0.34) POLA1GAAKMT2A
SCHEMBL1321342 0.90 HDAC2 (0.41) EPHX2NR1H4HDAC2HDAC3HDAC4
SCHEMBL12119705 0.89 EPHX2 (0.40) EPHX2NR1H4HDAC2HDAC3HDAC4
SCHEMBL12119699 0.89 RORC (0.42) RORCALDH1A1SMN1; SMN2KMT2A
SCHEMBL12119299 0.88 KMT2A (0.38) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1110100 0.87 SMN1; SMN2 (0.44) RORCSMN1; SMN2HSD11B1KMT2A
SCHEMBL12119660 0.86 HSD11B1 (0.45) ALDH1A1SMN1; SMN2GAAHSD11B1KMT2A
SCHEMBL12119209 0.86 OXTR (0.39) RORCSMN1; SMN2KMT2A
SCHEMBL4241496 0.85 KEAP1 (0.39) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL12119461 0.85 HTT (0.46) ALDH1A1GAAKMT2A

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 2 patents. 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
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 EPHX2 1178/4885NR1H4 435/4885HDAC2 3017/4885

“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.