SCHEMBL3091955

SCHEMBL3091955

O=C(c1cccnc1)c1cc(F)c(F)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.60
▸ CCR9 P51686 5/20 0.57
▸ CCR2 P41597 9/20 0.54
▸ CYP3A4 P08684 1/20 0.48
▸ NAMPT P43490 2/20 0.46
▸ BDKRB1 P46663 1/20 0.46
▸ PGAM1 P18669 1/20 0.45

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
SCHEMBL307594 0.82 CYP2C9 (0.62) TSHRCCR9CCR2CYP3A4
SCHEMBL344999 0.81 CCR9 (0.62) CCR9BDKRB1
SCHEMBL14304298 0.80 CCR9 (0.41) TSHRCCR9CCR2NAMPT
SCHEMBL13146503 0.79 PGAM1 (0.53) TSHRCCR2PGAM1
SCHEMBL3083483 0.77 CCR9 (0.65) CCR9CCR2
SCHEMBL13146487 0.76 LMNA (0.66) CCR9CCR2PGAM1
SCHEMBL13146456 0.76 CCR2 (0.62) CCR2
SCHEMBL13146479 0.76 CCR9 (0.84) CCR9CCR2BDKRB1
SCHEMBL343166 0.76 CCR9 (0.55) CCR9NAMPTBDKRB1
SCHEMBL1104716 0.75 CCR2 (0.54) CCR2PGAM1

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 4 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
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 — — US disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 — — WO 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 TSHR 1538/4885CCR9 2/4885CCR2 1/4885

“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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