SCHEMBL6001741

SCHEMBL6001741

FC(F)(F)Sc1ccc(C#Cc2ccc(SC(F)(F)F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PTPRZ1 P23471 4/20 0.48
PTPN1 P18031 2/20 0.48
LMNA P02545 3/20 0.39
KIF11 P52732 1/20 0.39
HTT P42858 1/20 0.39
APP P05067 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KCNH2 Q12809 1/20 0.34
KCNK2 O95069 1/20 0.34
KCNK10 P57789 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL1745009 0.82 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL19638946 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL695548 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL516309 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL17870969 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL9680787 0.80 KDM4E (0.52) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL6117355 0.80 ALDH1A1 (0.42) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL10978325 0.79 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL6116229 0.78 FFAR1 (0.40) ALDH1A1KDM4ETDP1PTPRZ1PTPN1
SCHEMBL6117104 0.78 FFAR1 (0.43) ALDH1A1KDM4ETDP1PTPRZ1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240151993-A1 ELECTRON WITHDRAWING GROUP (EWG)-CONTAINING ORGANIC MOLECULES FOR IMPROVED OPTICAL PROPERTIES IN AR/VR COMPONENTS META PLATFORMS TECHNOLOGIES, LLC 2024-05-09 US disclosed
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP disclosed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP disclosed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US disclosed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US disclosed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 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 (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-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors PPP4C, PTPRO, PTPRS ALDH1A1 4477/4885KDM4E 569/4885TDP1 375/4885
US-20240151993-A1 ELECTRON WITHDRAWING GROUP (EWG)-CONTAINING ORGANIC MOLECULES FOR IMPROVED OPTICAL PROPERTIES IN AR/VR COMPONENTS AR, OR10J3, ESRRG ALDH1A1 2350/4885KDM4E 861/4885TDP1 4124/4885

“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.