SCHEMBL5349769

SCHEMBL5349769

CS(=O)(=O)NCCc1ccc(C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
POLB P06746 2/20 0.53
AKR1C3 P42330 4/20 0.51
ALDH1A1 P00352 1/20 0.48
KDM4D Q6B0I6 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
RARB P10826 4/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GRIA4 P48058 1/20 0.46

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
SCHEMBL4256224 0.84 KMT2A (0.53) KMT2AAKR1C3ALDH1A1KDM4ERARB
SCHEMBL11109419 0.83 TBXA2R (0.60) KMT2APOLBALDH1A1TSHRCA2
SCHEMBL2841195 0.82 KMT2A (1.00) KMT2APOLBALDH1A1KDM4ETSHR
SCHEMBL28277800 0.81 AKR1C3 (0.62) KMT2APOLBAKR1C3KDM4DMAPK1
Hydrochloric Acid SCHEMBL3526720 0.81 KMT2A (0.96) KMT2APOLBALDH1A1KDM4ETSHR
SCHEMBL11104003 0.80 HPGD (0.60) KMT2APOLBALDH1A1RECQLCA2
SCHEMBL5991959 0.80 GRIA4 (0.63) KMT2APOLBALDH1A1RECQLCA2
SCHEMBL4520702 0.80 POLB (0.79) KMT2APOLBALDH1A1KDM4ECA9
SCHEMBL11108949 0.79 AKR1C3 (0.72) KMT2AAKR1C3ALDH1A1MAPK1TDP1
SCHEMBL7026171 0.78 TMEM97 (0.59) KMT2AALDH1A1KDM4ETSHRRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 US disclosed
EP-1633701-A1 BENZAMIDE NITRILE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-03-15 EP disclosed
WO-2004106285-A1 BENZAMIDE NITRILE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 WO disclosed
US-20040248949-A1 Benzamide nitriles ROCHE PALO ALTO LLC 2004-12-09 US disclosed
US-4443477-A ANTICOAGULANTS, ANTILIPEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1984-04-17 US disclosed
EP-0031954-B1 SULPHONAMIDES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1984-03-14 EP disclosed
EP-0031954-A2 Sulphonamides, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-07-15 EP 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-20040248949-A1 Benzamide nitriles CTSK, CTSS, CMA1 KMT2A 2679/4885POLB 2860/4885AKR1C3 532/4885

“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.