SCHEMBL4198698

SCHEMBL4198698

COc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.71
CCR9 P51686 4/20 0.67
ABCB11 O95342 2/20 0.56
PTGS2 P35354 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL4212911 0.89 CCR2 (0.64) CCR2CCR9ABCB11
SCHEMBL4655319 0.88 CCR2 (0.67) CCR2CCR9
SCHEMBL4371922 0.87 CCR2 (0.75) CCR2CCR9ABCB11PTGS2KDM4E
SCHEMBL4541643 0.86 CCR2 (0.77) CCR2CCR9ABCB11PTGS2KDM4E
SCHEMBL9536869 0.86 CCR2 (0.76) CCR2CCR9ABCB11PTGS2KDM4E
SCHEMBL4214845 0.85 CCR9 (0.59) CCR2CCR9ABCB11
SCHEMBL4205357 0.85 PPARG (0.61) CCR2CCR9ABCB11
SCHEMBL4206942 0.85 CCR2 (0.68) CCR2CCR9ABCB11
SCHEMBL13802525 0.85 CCR2 (0.71) CCR2CCR9ABCB11
SCHEMBL4201841 0.83 CCR2 (0.77) CCR2CCR9ABCB11

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 CCR2 1386/4885CCR9 2109/4885ABCB11 529/4885

“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.