SCHEMBL3961846

SCHEMBL3961846

Cc1cc(S(=O)(=O)O)c(NC(=O)Nc2cc3ccccc3[nH]2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.52
STING1 Q86WV6 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
KCNJ6 P48051 2/20 0.38
KCNJ5 P48544 2/20 0.38
KCNJ3 P48549 2/20 0.38
GRIK2 Q13002 1/20 0.37
IDH1 O75874 3/20 0.37
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
PYGL P06737 1/20 0.36
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 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
SCHEMBL3964585 0.83 GRIK1 (0.67) GRIK1STING1GRIK2
SCHEMBL3958242 0.80 IDH1 (0.56) GRIK1STING1CA12CA1CA2
SCHEMBL3960658 0.73 GRIK1 (0.69) GRIK1STING1CA12CA1CA2
SCHEMBL4218069 0.70 KDR (0.61) GRIK1IDH1NTRK1MEN1HTT
SCHEMBL350078 0.69 GRIK1 (0.64) GRIK1STING1MEN1HTTKMT2A
SCHEMBL9269321 0.69 GRIK1 (0.56) GRIK1BRD4ALDH1A1
SCHEMBL5950294 0.68 GRIK1 (0.82) GRIK1GRIK2MEN1ALDH1A1KMT2A
SCHEMBL7535340 0.68 CA1 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL18270558 0.68 CA1 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL31487774 0.68 MTNR1A (0.53) GRIK1BRD4ALDH1A1KMT2A

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-20060069255-A1 Novel aryl ureido benzoic acid derivatives and their use NEUROSEARCH (DK) 2006-03-30 US claimed
EP-1565429-A2 ARYL UREIDO DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2005-08-24 EP claimed
WO-2004046090-A2 ARYL UREIDO DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2004-06-03 WO claimed
US-7521480-B2 Aryl ureido benzoic acid derivatives and their use NEUROSEARCH (DK) 2009-04-21 US disclosed
US-20060069255-A1 Novel aryl ureido benzoic acid derivatives and their use NEUROSEARCH (DK) 2006-03-30 US disclosed
EP-1565429-A2 ARYL UREIDO DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2005-08-24 EP disclosed
WO-2004046090-A2 ARYL UREIDO DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2004-06-03 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-20060069255-A1 Novel aryl ureido benzoic acid derivatives and their use GABRA5, GRIK5, GRM5 GRIK1 24/4885STING1 2454/4885CA12 4540/4885

“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.