SCHEMBL12228293

SCHEMBL12228293

CNS(=O)(=O)c1cc(Cl)c(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.49
CCR4 P51679 2/20 0.45
ACLY P53396 1/20 0.43
KIT P10721 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
CCR1 P32246 1/20 0.38
CCR2 P41597 1/20 0.38
VCAM1 P19320 1/20 0.38
DUT P33316 1/20 0.37

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
SCHEMBL23568845 0.81 CCR4 (0.40) PTGES2CCR4CA12CA1CA2
SCHEMBL1510259 0.81 FBP1 (0.48) PTGES2CCR4ACLYCA12CA1
SCHEMBL15881105 0.80 ACLY (0.49) PTGES2CCR4ACLYKITCA1
SCHEMBL6261295 0.80 PTGES2 (0.53) PTGES2CCR4ACLYKITCCR1
SCHEMBL14544512 0.77 PTGES2 (0.41) PTGES2CCR4ACLYKITCCR1
SCHEMBL21612293 0.76 ACLY (0.49) PTGES2CCR4ACLYLGALS8LGALS3
SCHEMBL20680912 0.74 PTGES2 (0.45) PTGES2CCR4ACLYKITCCR1
SCHEMBL14014135 0.74 CDK1 (0.60) PTGES2CCR4ACLYKITCA12
SCHEMBL742144 0.74 PTGES2 (0.42) PTGES2CCR4ACLYKITCCR1
SCHEMBL7589854 0.73 PTGES2 (0.61) PTGES2CCR4ACLYKITCCR1

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
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 EP disclosed
EP-2544535-B1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE NORTH CAROLINA CENTRAL UNIV (US) 2017-04-19 EP disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 US disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 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 (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-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF ICOS, CD4, CD2 PTGES2 1418/4885CCR4 254/4885ACLY 4818/4885

“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.