SCHEMBL3217784

SCHEMBL3217784

COS(=O)(=O)c1ccccc1NC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
POLB P06746 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
F10 P00742 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 3/20 0.50
HDAC1 Q13547 2/20 0.50
MDM4 O15151 1/20 0.50
TP53 P04637 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL14539253 0.85 CA1 (0.49) HPGDPOLBCA1CA2F10
SCHEMBL10035673 0.85 ABCG2 (0.57) CA1CA2F10ALDH1A1NPC1
SCHEMBL31294284 0.82 TSHR (0.50) HPGDPOLBCA1CA2SMN1; SMN2
SCHEMBL10298598 0.82 TSHR (0.50) HPGDPOLBCA1CA2SMN1; SMN2
SCHEMBL12630739 0.82 CA1 (0.46) HPGDPOLBCA1CA2F10
SCHEMBL6962126 0.80 MDM4 (0.56) HPGDPOLBCA1CA2MEN1
SCHEMBL31520127 0.80 MDM4 (0.56) HPGDPOLBCA1CA2MEN1
SCHEMBL2893166 0.80 MDM4 (0.56) HPGDPOLBCA1CA2MEN1
SCHEMBL12630782 0.80 ALDH1A1 (0.46) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3195371 0.79 ALDH1A1 (0.49) HPGDPOLBMEN1KMT2ASMN1; SMN2

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
EP-2067770-B1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEM IND LTD (JP) 2017-04-12 EP disclosed
US-8269038-B2 Process for production of sulfonic acid ester WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-09-18 US disclosed
US-8110329-B2 Charge controlling agent and toner CANON KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-18 US disclosed
EP-2067770-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER Wako Pure Chemical Industries, Ltd. (JP) 2009-06-10 EP disclosed
US-20070111125-A1 CHARGE CONTROLLING AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2007-05-17 US disclosed
US-20070111125-A1 CHARGE CONTROLLING AGENT AND TONER CANON KABUSHIKI KAISHA (JP) 2007-05-17 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-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER SULT1A1, SULT2A1, STS HPGD 3369/4885POLB 3590/4885CA1 395/4885
US-20070111125-A1 CHARGE CONTROLLING AGENT AND TONER CA2, ACTR2, CA12 HPGD 4319/4885POLB 2478/4885CA1 10/4885

“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.