SCHEMBL19970130

SCHEMBL19970130

CCc1ccccc1-c1nc(NSc2cccc(N3CCC[C@H](C(=O)O)C3)n2)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.40
ICAM1 P05362 4/20 0.40
ITGAL P20701 4/20 0.40
IDH2 P48735 1/20 0.38
HSD11B1 P28845 1/20 0.38
MPL P40238 2/20 0.37
SYK P43405 1/20 0.35
SLC6A1 P30531 1/20 0.35
NOTUM Q6P988 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TTR P02766 1/20 0.35
CYP2C9 P11712 1/20 0.34
EPHX2 P34913 1/20 0.34
POLB P06746 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
PADI4 Q9UM07 1/20 0.34

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
SCHEMBL19970013 1.00 ITGB2 (0.40) ITGB2ICAM1ITGALIDH2HSD11B1
SCHEMBL23770689 1.00 ITGB2 (0.40) ITGB2ICAM1ITGALIDH2HSD11B1
SCHEMBL23770488 0.91 ITGB2 (0.40) ITGB2ICAM1ITGALIDH2HSD11B1
SCHEMBL23770759 0.90 MPL (0.43) ITGB2ICAM1ITGALIDH2MPL
SCHEMBL23770635 0.89 IDH2 (0.39) ITGB2ICAM1ITGALIDH2HSD11B1
SCHEMBL19970209 0.89 ITGB2 (0.48) ITGB2ICAM1ITGALIDH2HSD11B1
SCHEMBL23770462 0.89 ITGB2 (0.48) ITGB2ICAM1ITGALIDH2HSD11B1
SCHEMBL19970014 0.89 ITGB2 (0.48) ITGB2ICAM1ITGALIDH2HSD11B1
SCHEMBL19970126 0.89 IDH2 (0.39) ITGB2ICAM1ITGALIDH2HSD11B1
SCHEMBL23770456 0.89 IDH2 (0.39) ITGB2ICAM1ITGALIDH2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066369-B2 N-(pyridin-2-yl)pyridine-sulfonamide derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2021-07-20 US disclosed
US-10450273-B2 N-(pyridin-2-yl)pyridine-sulfonamide derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2019-10-22 US disclosed
US-20180072673-A1 N-(pyridin-2-yl)pyridine-sulfonamide Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2018-03-15 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 (3 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-11066369-B2 N-(pyridin-2-yl)pyridine-sulfonamide derivatives and their use in the treatment of disease CFTR, P2RY1, P2RX5 ITGB2 2257/4885ICAM1 4057/4885ITGAL 2204/4885
US-20180072673-A1 N-(pyridin-2-yl)pyridine-sulfonamide Derivatives and their Use in the Treatment of Disease CFTR, P2RY1, P2RX5 ITGB2 2257/4885ICAM1 4057/4885ITGAL 2204/4885
US-10450273-B2 N-(pyridin-2-yl)pyridine-sulfonamide derivatives and their use in the treatment of disease CFTR, P2RY1, P2RX5 ITGB2 2257/4885ICAM1 4057/4885ITGAL 2204/4885

“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.