SCHEMBL71839

SCHEMBL71839

Cc1ccccc1S(=O)(=O)OCCF

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 6/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR6 P50406 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL27179093 0.90 KMT2A (0.39) KMT2AMEN1ESR1ESR2GAA
SCHEMBL8654494 0.89 KMT2A (0.45) KMT2AMEN1ESR1ESR2GAA
SCHEMBL8746193 0.86 GAA (0.48) KMT2AMEN1ESR1ESR2GAA
SCHEMBL7619544 0.85 KMT2A (0.43) KMT2AMEN1ESR1ESR2GAA
SCHEMBL6411427 0.84 KMT2A (0.42) KMT2AMEN1ESR1ESR2GAA
SCHEMBL29072408 0.83 MEN1 (0.39) KMT2AMEN1ESR1ESR2GAA
SCHEMBL8746108 0.83 GAA (0.43) KMT2AMEN1ESR1ESR2GAA
Dimethyl Sulfone SCHEMBL1557255 0.83 KMT2A (0.39) KMT2AMEN1ESR1ESR2GAA
SCHEMBL3620171 0.82 KMT2A (0.41) KMT2AMEN1ESR1ESR2GAA
Hydrochloric Acid SCHEMBL27691765 0.82 KMT2A (0.41) KMT2AMEN1ESR1ESR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US 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
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
EP-0471358-B1 Fluoroethylcamptothecin derivatives KYORIN SEIYAKU KK (JP) 1996-05-08 EP disclosed
EP-0471358-A1 Fluoroethylcamptothecin derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-02-19 EP 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 (6 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 1154/4885MEN1 98/4885ESR1 225/4885
US-10870629-B2 18F-labelled compound for prostate cancer diagnosis, and use thereof KLK3, FOLH1, AR KMT2A 1154/4885MEN1 98/4885ESR1 225/4885
US-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 KMT2A 568/4885MEN1 4254/4885ESR1 1417/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 KMT2A 656/4885MEN1 4337/4885ESR1 1342/4885
US-20070112068-A1 Nitrile compound and its use in pest control C5, C9, C1S KMT2A 2002/4885MEN1 824/4885ESR1 3753/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 KMT2A 881/4885MEN1 4226/4885ESR1 2398/4885

“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.