SCHEMBL71841

SCHEMBL71841

O=S(=O)(Cc1ccccc1)OCCF

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
FAAH O00519 1/20 0.50
ELANE P08246 1/20 0.50
PRTN3 P24158 1/20 0.50
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA9 Q16790 3/20 0.45
CA5A P35218 1/20 0.45
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
HSP90AA1 P07900 1/20 0.38
F2 P00734 1/20 0.38
LOX P28300 1/20 0.38

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
SCHEMBL9309031 0.88 KMT2A (0.61) KMT2APRSS1PRSS2PRSS3FAAH
SCHEMBL8746194 0.85 KMT2A (0.53) KMT2APRSS1PRSS2PRSS3FAAH
SCHEMBL28223632 0.85 KMT2A (0.53) KMT2APRSS1PRSS2PRSS3FAAH
SCHEMBL7619550 0.84 KMT2A (0.57) KMT2APRSS1PRSS2PRSS3FAAH
SCHEMBL6912270 0.82 CA1 (0.63) KMT2APRSS1PRSS2PRSS3FAAH
SCHEMBL8746110 0.81 KMT2A (0.50) KMT2APRSS1PRSS2PRSS3FAAH
SCHEMBL29482067 0.81 KMT2A (0.53) KMT2APRSS1PRSS2PRSS3FAAH
SCHEMBL2383968 0.81 KMT2A (0.53) KMT2APRSS1PRSS2PRSS3FAAH
SCHEMBL2762566 0.81 KMT2A (0.53) KMT2APRSS1PRSS2PRSS3FAAH
SCHEMBL8746236 0.80 KMT2A (0.49) KMT2APRSS1PRSS2PRSS3FAAH

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118743770-A Positron Emission Tomography (PET) radiotracer for imaging macrophage colony stimulating factor 1 receptor (CSF 1R) in neuroinflammation 约翰霍普金斯大学 2024-10-08 CN disclosed
EP-3643707-B1 18F-LABELLED COMPOUND FOR PROSTATE CANCER DIAGNOSIS, AND USE THEREOF FUTURECHEM CO LTD (KR) 2022-02-23 EP disclosed
US-10870629-B2 18F-labelled compound for prostate cancer diagnosis, and use thereof FUTURECHEM CO., LTD. (KR) 2020-12-22 US disclosed
US-20200207724-A1 18F-LABELLED COMPOUND FOR PROSTATE CANCER DIAGNOSIS, AND USE THEREOF FUTURECHEM CO., LTD. (KR) 2020-07-02 US disclosed
EP-3643707-A1 18F-LABELLED COMPOUND FOR PROSTATE CANCER DIAGNOSIS, AND USE THEREOF Futurechem Co., Ltd. (KR) 2020-04-29 EP disclosed
CN-102600488-B IMAGING THE CENTRAL NERVOUS SYSTEM GE HEALTHCARE LTD 2013-11-20 CN disclosed
CN-102600487-B Imaging the central nervous system GE HEALTHCARE LTD 2013-11-20 CN disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
CN-102600488-A IMAGING THE CENTRAL NERVOUS SYSTEM GE HEALTHCARE LTD 2012-07-25 CN disclosed
CN-101970017-B Visualization of the central nervous system GE HEALTHCARE LTD 2012-05-23 CN disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
EP-1697311-B1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2011-10-26 EP disclosed
CN-101970017-A Visualization of the central nervous system GE HEALTHCARE LTD 2011-02-09 CN disclosed
US-7662402-B2 contains fluoroalkyl group; insecticides, miticides, nematocides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 EP disclosed
US-20070112068-A1 Nitrile compound and its use in pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
EP-1697311-A1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
WO-2005063694-A1 NITRILE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-14 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 (5 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-20200207724-A1 18F-LABELLED COMPOUND FOR PROSTATE CANCER DIAGNOSIS, AND USE THEREOF KLK3, FOLH1, AR KMT2A 1154/4885PRSS1 932/4885PRSS2 2171/4885
US-10870629-B2 18F-labelled compound for prostate cancer diagnosis, and use thereof KLK3, FOLH1, AR KMT2A 1154/4885PRSS1 932/4885PRSS2 2171/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 KMT2A 656/4885PRSS1 1908/4885PRSS2 3518/4885
US-20070112068-A1 Nitrile compound and its use in pest control C5, C9, C1S KMT2A 2002/4885PRSS1 3501/4885PRSS2 3806/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 KMT2A 881/4885PRSS1 1464/4885PRSS2 2970/4885

“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.