SCHEMBL22022005

SCHEMBL22022005

CCCC(C)c1cccc2oncc12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
TSHR P16473 1/20 0.33
PTPN1 P18031 1/20 0.32
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
NQO1 P15559 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
SCHEMBL9910068 0.80 BRD4 (0.42) BRD4TSHRFAAH
SCHEMBL19250285 0.73 BRD4 (0.33) BRD4
SCHEMBL17240950 0.72 BRD4 (0.35) BRD4TSHR
SCHEMBL24626620 0.70 NQO1 (0.42) TSHRNQO1
SCHEMBL21240895 0.70 KDM4E (0.42)
SCHEMBL24399382 0.69 BRD4 (0.42) BRD4FAAHMGLL
SCHEMBL7705711 0.69 ALDH1A1 (0.48)
SCHEMBL31380293 0.69 TSHR (0.48) TSHRFAAH
SCHEMBL21216406 0.69 IDO1 (0.51) BRD4
SCHEMBL11996610 0.69 NQO1 (0.41) TSHRNQO1

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 BRD4 748/4885TSHR 2587/4885PTPN1 700/4885
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 BRD4 748/4885TSHR 2587/4885PTPN1 700/4885

“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.