SCHEMBL13146503

SCHEMBL13146503

O=C(c1ccccc1)c1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PGAM1 P18669 1/20 0.53
▸ CCR2 P41597 13/20 0.51
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MMP7 P09237 1/20 0.47
▸ ACLY P53396 1/20 0.47
▸ TSHR P16473 1/20 0.47

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
SCHEMBL13146456 0.91 CCR2 (0.62) CCR2LMNAHTT
SCHEMBL13146478 0.89 CCR2 (0.50) PGAM1CCR2MMP7ACLYTSHR
SCHEMBL13146515 0.89 LMNA (0.55) PGAM1CCR2LMNAHTTACLY
SCHEMBL13146487 0.86 LMNA (0.66) PGAM1CCR2LMNAHTT
SCHEMBL3083483 0.80 CCR9 (0.65) CCR2
SCHEMBL13146484 0.80 LMNA (0.60) CCR2LMNAHTTACLYTSHR
SCHEMBL3091955 0.79 TSHR (0.60) PGAM1CCR2TSHR
SCHEMBL1104715 0.78 CCR2 (0.67) CCR2ACLY
SCHEMBL305754 0.78 CYP2C9 (0.66) PGAM1CCR2TSHR
SCHEMBL1104716 0.77 CCR2 (0.54) PGAM1CCR2

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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 — — US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 — — 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 PGAM1 4183/4885CCR2 1/4885LMNA 4007/4885

“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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