SCHEMBL147485

SCHEMBL147485

O=S(=O)(OS(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA2 P00918 5/20 0.38
HSD11B1 P28845 2/20 0.38
PLCG1 P19174 1/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
CA5A P35218 1/20 0.37
MMP2 P08253 4/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CA12 O43570 2/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GPR3 P46089 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL37033 0.89 HTR6 (0.42) CA2HSD11B1CA1CA9CA5A
SCHEMBL503373 0.84 PKM (0.46) MEN1KMT2AHSD11B1
SCHEMBL4643793 0.84 CA1 (0.46) MEN1KMT2ACA2HSD11B1CA1
SCHEMBL3130157 0.84 PKM (0.46) MEN1KMT2AHSD11B1
SCHEMBL36148 0.83 HTT (0.45) MEN1KMT2ACA2HSD11B1CA1
SCHEMBL1261245 0.83 HSD11B1 (0.45) MEN1KMT2ACA2HSD11B1CA1
SCHEMBL3139517 0.83 TDP1 (0.46) MEN1KMT2ACA2HSD11B1CA1
SCHEMBL444803 0.83 PTGS2 (0.44) HSD11B1
SCHEMBL548280 0.83 ESR1 (0.42) MEN1KMT2ACA2HSD11B1CA1
SCHEMBL3136958 0.83 HTT (0.45) MEN1KMT2ACA2HSD11B1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271657-B1 GEL MICRODROP COMPOSITION AND METHOD OF USING THE SAME CRYSTAL BIOSCIENCE INC (US) 2017-03-01 EP disclosed
US-9309358-B2 Crosslinkable siloxanes by acid-catalyzed polymerization of oxasilacycles WACKER CHEMIE AG (DE) 2016-04-12 US disclosed
US-20150175749-A1 CROSSLINKABLE SILOXANES BY ACID-CATALYZED POLYMERIZATION OF OXASILACYCLES WACKER CHEMIE AG (DE) 2015-06-25 US disclosed
US-8455561-B2 Method for the production of foams on silicone basis WACKER CHEMIE AG (DE) 2013-06-04 US disclosed
US-8415173-B2 Gel microdrop composition and method of using the same CRYSTAL BIOSCIENCE INC. (US) 2013-04-09 US disclosed
US-20120077714-A1 Mass Spectrometry Based Particle Separation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-03-29 US disclosed
US-20120058903-A1 Gel Microdrop Composition and Method of Using the Same CRYSTAL BIOSCIENCE INC. 2012-03-08 US disclosed
US-8030095-B2 Gel microdrop composition and method of using the same CRYSTAL BIOSCIENCE INC. (US) 2011-10-04 US disclosed
US-20110124752-A1 METHOD FOR THE PRODUCTION OF FOAMS ON SILICONE BASIS WACKER CHEMIE AG (DE) 2011-05-26 US disclosed
EP-2271657-A2 GEL MICRODROP COMPOSITION AND METHOD OF USING THE SAME Crystal Bioscience Inc. (US) 2011-01-12 EP disclosed
US-20100331483-A1 CURABLE POLYMER MIXTURES WACKER CHEMIE AG (DE) 2010-12-30 US disclosed
US-20100092955-A1 GEL MICRODROP COMPOSITION AND METHOD OF USING THE SAME CRYSTAL BIOSCIENCE INC. 2010-04-15 US disclosed
WO-2009111014-A2 GEL MICRODROP COMPOSITION AND METHOD OF USING THE SAME CRYSTAL BIOSCIENCE INC. (US) 2009-09-11 WO disclosed
EP-1674855-A2 Addressable recovery of bound analytes from an evanescent wave sensor AGILENT TECHNOLOGIES, INC. (A Delaware Corporation) (US) 2006-06-28 EP disclosed
US-20060128031-A1 Addressable recovery of bound analytes from an evanescent wave sensor AGILENT TECHNOLOGIES, INC. 2006-06-15 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-20150175749-A1 CROSSLINKABLE SILOXANES BY ACID-CATALYZED POLYMERIZATION OF OXASILACYCLES MCM4, ITGB4, ITGA4 IDO1 2494/4885MEN1 1910/4885KMT2A 1615/4885

“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.