SCHEMBL91662

SCHEMBL91662

Cc1cc(C)c(-c2ccc(S(F)(F)(F)(F)F)cc2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.36
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
RAPGEF4 Q8WZA2 2/20 0.31
PDK2 Q15119 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL91668 0.96 ALDH1A1 (0.35) PDE2AMEN1ALDH1A1MAPTKMT2A
SCHEMBL6382158 0.79 ALDH1A1 (0.40) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL19665045 0.78 RXRA (0.45) PDE2AALDH1A1
SCHEMBL1044722 0.77 MEN1 (0.47) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL30507312 0.76 ACHE (0.48) ALDH1A1RAPGEF4
SCHEMBL22795543 0.75 PDE2A (0.43) PDE2AALDH1A1MAPT
SCHEMBL91699 0.74 FFAR4 (0.34)
SCHEMBL91660 0.73 RAPGEF4 (0.33) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL17431646 0.72 ESRRA (0.39) PDE2AMEN1ALDH1A1MAPTKMT2A
SCHEMBL817545 0.71 ACHE (0.50) PDE2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160096852-A1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and Analogs UNIVERSITY OF NORTH FLORIDA (US) 2016-04-07 US disclosed
US-9284336-B1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and analogs UNIVERSITY OF NORTH FLORIDA (US) 2016-03-15 US disclosed
US-9238660-B1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and analogs and their application for the preparation of SF5-aromatics UNIVERSITY OF NORTH FLORIDA (US) 2016-01-19 US disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 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-20160096852-A1 Synthesis of 4-(pentafluorosulfanyl)benzenediazonium tetrafluoroborate and Analogs HCK, NEK5, SIK2 PDE2A 4703/4885MEN1 3596/4885ALDH1A1 2964/4885

“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.