SCHEMBL22021978

SCHEMBL22021978

CCCC(C)(CCC)c1ccc(C#N)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.43
CYP11B1 P15538 13/20 0.38
CYP11B2 P19099 13/20 0.38
AR P10275 4/20 0.38
CACNA1H O95180 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL22023207 0.94 TRPV4 (0.41) TRPV4CYP11B1CYP11B2ARCACNA1H
SCHEMBL24876709 0.80 TRPV4 (0.46) TRPV4CYP11B1CYP11B2AR
SCHEMBL21099151 0.79 ESR1 (0.41) ARESR1ESR2
SCHEMBL495417 0.79 TRPV4 (0.52) TRPV4CYP11B1CYP11B2ARCACNA1H
SCHEMBL23008623 0.78 AR (0.39) ARESR1ESR2
SCHEMBL26124467 0.78 TRPV4 (0.50) TRPV4CYP11B1CYP11B2AR
SCHEMBL6474353 0.76 AR (0.49) TRPV4CYP11B1CYP11B2AR
SCHEMBL22021976 0.75 ESR1 (0.38) ARESR1ESR2
SCHEMBL26394780 0.73 TRPV4 (0.46) TRPV4CYP11B1CYP11B2ARCACNA1H
SCHEMBL495426 0.73 CYP11B1 (0.57) TRPV4CYP11B1CYP11B2AR

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 TRPV4 4698/4885CYP11B1 2155/4885CYP11B2 2106/4885
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 TRPV4 4698/4885CYP11B1 2155/4885CYP11B2 2106/4885

“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.