SCHEMBL3776773

SCHEMBL3776773

O=S(=O)(Cl)C=Cc1ccc(Br)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 11/20 0.42
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTPN1 P18031 3/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31
TUBB2B Q9BVA1 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
P4HTM Q9NXG6 1/20 0.31

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
SCHEMBL3776771 1.00 NFE2L2 (0.42) NFE2L2HTR2AKCNH2PTPN1TUBB4A
SCHEMBL3783772 0.82 CA12 (0.40) NFE2L2HTR2AKCNH2PTPN1TUBB4A
SCHEMBL3783771 0.82 CA12 (0.40) NFE2L2HTR2AKCNH2PTPN1TUBB4A
SCHEMBL13639470 0.77 CYP11B1 (0.33) NFE2L2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13012058 0.76 PTPN1 (0.60) PTPN1
SCHEMBL6273189 0.76 ALDH1A1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6852107 0.76 ALDH1A1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL947253 0.75 PTGES2 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL947256 0.75 PTGES2 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29745657 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145380-B2 Bis-(sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2015-09-29 US disclosed
EP-2234993-B1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2012-11-07 EP disclosed
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy ASTRAZENECA AB (SE) 2010-12-30 US disclosed
EP-2234993-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-20090163586-A1 Bis-(Sulfonylamino) Derivatives in Therapy 205 ASTRAZENECA AB (SE) 2009-06-25 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-20090163586-A1 Bis-(Sulfonylamino) Derivatives in Therapy 205 PTGER1, SULT2A1, SULT1E1 NFE2L2 717/4885HTR2A 1120/4885KCNH2 3620/4885
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy PTGER1, SULT2A1, SULT1E1 NFE2L2 573/4885HTR2A 598/4885KCNH2 3262/4885

“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.