SCHEMBL12374817

SCHEMBL12374817

Cc1ncc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(OC(C)(C)C)cc2)cn1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 18/20 0.66
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
CCR2 P41597 1/20 0.53

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
SCHEMBL12359420 0.90 CCR9 (0.68) CCR9LMNAHTTTP53MAPT
SCHEMBL12359427 0.89 CCR9 (0.62) CCR9LMNAHTTTP53MAPT
SCHEMBL12374816 0.87 CCR9 (0.74) CCR9LMNAHTTTP53MAPT
SCHEMBL12032397 0.86 CCR9 (0.70) CCR9LMNAHTTTP53MAPT
SCHEMBL12359426 0.86 CCR9 (0.64) CCR9LMNAHTT
SCHEMBL12359423 0.83 CCR9 (0.62) CCR9LMNAHTTTP53MAPT
SCHEMBL12359421 0.83 CCR9 (0.62) CCR9LMNAHTTTP53MAPT
SCHEMBL343606 0.82 CCR9 (0.83) CCR9LMNAHTTTP53MAPT
SCHEMBL12374814 0.82 CCR9 (0.58) CCR9LMNAHTTTP53MAPT
SCHEMBL13693202 0.80 CCR9 (1.00) CCR9LMNAHTTTP53MAPT

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-7999109-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 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-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 CCR9 1/4885LMNA 3548/4885HTT 4358/4885

“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.