SCHEMBL4422041

SCHEMBL4422041

CS(=O)(=O)c1ccc(C(=O)NO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.57
HDAC8 Q9BY41 5/20 0.57
HDAC1 Q13547 4/20 0.57
HDAC2 Q92769 2/20 0.57
KMT2A Q03164 2/20 0.56
HDAC3 O15379 3/20 0.53
HDAC11 Q96DB2 2/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 1/20 0.52
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL9913954 0.86 KMT2A (0.54) KMT2ACA2EPHX2NR1H4ADORA3
SCHEMBL12049688 0.83 CA2 (0.69) HDAC6HDAC8HDAC2KMT2ACA1
SCHEMBL1364623 0.82 CA2 (0.69) KMT2ACA1CA2EPHX2NR1H4
SCHEMBL1253849 0.82 KMT2A (0.54) KMT2ACA2EPHX2NR1H4ADORA3
SCHEMBL14885637 0.81 HDAC6 (0.54) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL3673435 0.79 HDAC6 (0.75) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL19193084 0.79 HDAC6 (0.74) HDAC6HDAC8HDAC1HDAC2KMT2A
SCHEMBL13702166 0.79 KMT2A (0.55) KMT2ACA1CA2EPHX2NR1H4
SCHEMBL13701760 0.79 HTT (0.62) KMT2ACA2EPHX2NR1H4ADORA3
SCHEMBL5943957 0.78 HDAC8 (0.53) HDAC6HDAC8HDAC1HDAC2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-02-18 US disclosed
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US disclosed
US-4610957-A SILVER HALIDE EMULSIONS, ACID AND BASE PRECUSORS FUJI PHOTO FILM CO., LTD. (JP) 1986-09-09 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 (2 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-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 HDAC6 2609/4885HDAC8 2791/4885HDAC1 2682/4885
US-20100041653-A1 COMPOSITION AND METHODS FOR THE DESIGN AND DEVELOPMENT OF METALLO-ENZYME INHIBITORS HELZ, MMEL1, GAA HDAC6 44/4885HDAC8 100/4885HDAC1 28/4885

“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.