SCHEMBL29972074

SCHEMBL29972074

C[C@@H](NS(=O)(=O)c1cn(C2CC2)c(C(=O)Nc2ccc(F)c(C#N)c2)c1Cl)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC10A1 Q14973 11/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ RORC P51449 4/20 0.37
▸ RORB Q92753 1/20 0.35
▸ XDH P47989 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ F11 P03951 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
SCHEMBL16257442 1.00 SLC10A1 (0.39) SLC10A1GRM4RORCRORBXDH
SCHEMBL17700879 0.88 GRM4 (0.42) SLC10A1GRM4F11
SCHEMBL17700846 0.88 GRM4 (0.42) SLC10A1GRM4XDHF11
SCHEMBL16257191 0.88 GRM4 (0.42) SLC10A1GRM4F11
SCHEMBL18408070 0.86 GRM4 (0.38) SLC10A1GRM4XDHKDM1A
SCHEMBL22579501 0.82 GRM4 (0.42) SLC10A1GRM4
SCHEMBL16257319 0.81 GRM4 (0.41) SLC10A1GRM4
SCHEMBL16257389 0.81 GRM4 (0.41) SLC10A1GRM4
SCHEMBL17700822 0.80 SLC10A1 (0.39) SLC10A1GRM4RORCF11
SCHEMBL21727644 0.80 GRM4 (0.40) SLC10A1GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220305116-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND CAPSID ASSEMBLY MODULATORS BEING SULFONAMIDE DERIVATIVES JANSSEN SCIENCES IRELAND UNLMITED COMPANY (IE) 2022-09-29 — — 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-20220305116-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND CAPSID ASSEMBLY MODULATORS BEING SULFONAMIDE DERIVATIVES HAVCR2, HCCS, IRF3 SLC10A1 52/4885GRM4 1761/4885RORC 96/4885

“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.

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