SCHEMBL21999339

SCHEMBL21999339

CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccc(F)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 14/20 0.56
HSD17B2 P37059 3/20 0.50
BDKRB1 P46663 1/20 0.48
CCR2 P41597 1/20 0.46
CYP2C9 P11712 1/20 0.43
PIK3CD O00329 1/20 0.43

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
SCHEMBL306651 0.90 CCR9 (0.58) CCR9HSD17B2CCR2PIK3CD
SCHEMBL305646 0.90 CCR9 (0.55) CCR9HSD17B2CCR2
SCHEMBL10223749 0.89 CCR9 (0.52) CCR9HSD17B2BDKRB1CCR2CYP2C9
SCHEMBL306137 0.89 CCR9 (0.57) CCR9HSD17B2CCR2
SCHEMBL10223709 0.89 CCR9 (0.57) CCR9HSD17B2CCR2
SCHEMBL10223720 0.89 CCR9 (0.58) CCR9HSD17B2CCR2
SCHEMBL305736 0.88 PIK3CD (0.57) CCR9HSD17B2CCR2PIK3CD
SCHEMBL10223632 0.87 CCR9 (0.58) CCR9HSD17B2CCR2
SCHEMBL10223772 0.87 CCR9 (0.73) CCR9HSD17B2CCR2PIK3CD
SCHEMBL10223770 0.87 CCR9 (0.54) CCR9HSD17B2CCR2

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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CCR9 2/4885HSD17B2 2899/4885BDKRB1 138/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CCR9 2/4885HSD17B2 2899/4885BDKRB1 138/4885

“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.