SCHEMBL21999072

SCHEMBL21999072

O=S(=O)(Nc1cc(Cl)cnc1C(O)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.51
CCR2 P41597 16/20 0.51
PGAM1 P18669 1/20 0.51
TSHR P16473 1/20 0.49

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
SCHEMBL306049 0.91 TSHR (0.51) CYP2C9CCR2TSHR
SCHEMBL12593798 0.83 CYP2C9 (0.49) CYP2C9CCR2PGAM1TSHR
SCHEMBL3090250 0.83 CCR2 (0.59) CCR2PGAM1
SCHEMBL21084894 0.82 CCR2 (0.49) CYP2C9CCR2PGAM1TSHR
SCHEMBL21085231 0.80 CYP2C9 (0.46) CYP2C9CCR2TSHR
SCHEMBL306044 0.80 CCR2 (0.64) CYP2C9CCR2TSHR
SCHEMBL18714270 0.80 CCR2 (0.63) CYP2C9CCR2TSHR
SCHEMBL306510 0.80 CYP3A4 (0.57) CYP2C9CCR2PGAM1TSHR
SCHEMBL126997 0.79 CYP2C9 (0.66) CYP2C9CCR2TSHR
SCHEMBL305754 0.79 CYP2C9 (0.66) CYP2C9CCR2PGAM1TSHR

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 CYP2C9 192/4885CCR2 1/4885PGAM1 4335/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CYP2C9 192/4885CCR2 1/4885PGAM1 4335/4885

“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.