SCHEMBL3776586

SCHEMBL3776586

O=S(=O)(Cl)C=Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
PTGS2 P35354 1/20 0.46
PTGES2 Q9H7Z7 3/20 0.46
PYGL P06737 9/20 0.45
CHAT P28329 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
GUSB P08236 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3776583 1.00 ALDH1A1 (0.57) ALDH1A1PTGS2PTGES2PYGLCHAT
SCHEMBL11343214 0.82 PTGES2 (0.51) ALDH1A1PTGS2PTGES2PYGLCHAT
SCHEMBL11343211 0.82 PTGES2 (0.51) ALDH1A1PTGS2PTGES2PYGLCHAT
SCHEMBL11329653 0.82 ALDH1A1 (0.50) ALDH1A1PTGS2PTGES2PYGLCHAT
SCHEMBL11329656 0.82 ALDH1A1 (0.50) ALDH1A1PTGS2PTGES2PYGLCHAT
SCHEMBL10973260 0.78 ALDH1A1 (0.64) ALDH1A1PTGS2PYGLCHATKDM4A
SCHEMBL10973255 0.78 ALDH1A1 (0.64) ALDH1A1PTGS2PYGLCHATKDM4A
SCHEMBL950718 0.77 HSD17B10 (0.52) PTGS2PTGES2
SCHEMBL950722 0.77 HSD17B10 (0.52) PTGS2PTGES2
SCHEMBL27552743 0.76 ALDH1A1 (0.47) ALDH1A1PTGS2PYGLCHATKDM4A

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 11 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
US-4259482-A NON-SPECIFIC DEPRESSION OF CENTRAL NERVOUS SYSTEM MEAD JOHNSON & COMPANY (US) 1981-03-31 US disclosed
US-4206142-A REACTING A STYRYLSULFONYLAMIDINE WITH A BASE MEAD JOHNSON & COMPANY (US) 1980-06-03 US disclosed
US-4130663-A ANTITHROMBOGENIC, ANTIHYPERTENSIVE MEAD JOHNSON & COMPANY (US) 1978-12-19 US disclosed
US-4096183-A Styrylsulfonylamidines MEAD JOHNSON & COMPANY (US) 1978-06-20 US disclosed
US-4052455-A ANALGESICS, BLOOD PLATELET AGGREGATION INHIBITORS MEAD JOHNSON & COMPANY (US) 1977-10-04 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 ALDH1A1 61/4885PTGS2 45/4885PTGES2 30/4885
US-20100331321-A1 Bis-(Sulfonylamino) derivatives for use in therapy PTGER1, SULT2A1, SULT1E1 ALDH1A1 78/4885PTGS2 37/4885PTGES2 25/4885

“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.