SCHEMBL22021976

SCHEMBL22021976

CCCC(C)(CCC)c1ccc(Br)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.38
ESR2 Q92731 4/20 0.38
KDM1A O60341 3/20 0.35
RCOR1 Q9UKL0 1/20 0.35
AR P10275 1/20 0.33
PDE2A O00408 1/20 0.33
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNH2 Q12809 2/20 0.32
KDM1B Q8NB78 1/20 0.32

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
SCHEMBL21099151 0.83 ESR1 (0.41) ESR1ESR2ARPDE2A
SCHEMBL29446073 0.80 ADRB2 (0.34) KDM1ARCOR1PDE2ATDP1CYP1A2
SCHEMBL22964477 0.80 ADRB2 (0.34) KDM1ARCOR1PDE2ATDP1CYP1A2
SCHEMBL24331301 0.79 MAPT (0.39) ESR1ESR2ARKMT2ANPSR1
SCHEMBL12982333 0.79 CNR2 (0.42) ESR1ESR2
SCHEMBL4153765 0.77 ALOX15 (0.46) ESR1ESR2KDM1ARCOR1AR
SCHEMBL1104683 0.77 ALDH1A1 (0.41) KDM1ARCOR1KMT2ATDP1CYP1A2
SCHEMBL20866516 0.76 RIPK1 (0.39) ESR1ESR2ARPDE2A
SCHEMBL16046268 0.75 KDM1A (0.36) KDM1ARCOR1PDE2ATDP1KCNH2
SCHEMBL22021978 0.75 TRPV4 (0.43) ESR1ESR2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078170-B2 Cyclic sulfamide compounds and methods of using same ASSEMBLY BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2020-05-21 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 (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-11078170-B2 Cyclic sulfamide compounds and methods of using same HCCS, HAVCR2, SLC10A1 ESR1 4021/4885ESR2 2458/4885KDM1A 2929/4885
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 ESR1 4021/4885ESR2 2458/4885KDM1A 2929/4885

“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.