SCHEMBL4209306

SCHEMBL4209306

COc1cc(OC)c2cc(C(=O)O)n(Cc3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 6/20 0.56
CCR2 P41597 8/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RHEB Q15382 3/20 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
SCHEMBL6300781 0.89 CCR2 (0.53) CCR9CCR2RHEB
SCHEMBL6300706 0.88 CCR9 (0.53) CCR9CCR2RHEB
SCHEMBL4214845 0.81 CCR9 (0.59) CCR9CCR2
SCHEMBL6303493 0.80 CCR2 (0.62) CCR9CCR2RHEB
SCHEMBL4198698 0.80 CCR2 (0.71) CCR9CCR2MEN1KMT2A
SCHEMBL13802530 0.78 CCR2 (0.50) CCR9CCR2MEN1KMT2A
SCHEMBL701444 0.77 GPR35 (0.46) CCR9CCR2MEN1KMT2ARHEB
SCHEMBL7079495 0.76 CCR2 (0.47) CCR9CCR2RHEB
SCHEMBL13802529 0.76 CCR2 (0.55) CCR9CCR2
SCHEMBL6300529 0.75 CCR2 (0.49) CCR9CCR2RHEB

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 CCR9 2109/4885CCR2 1386/4885MEN1 694/4885

“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.