SCHEMBL12374580

SCHEMBL12374580

CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cccc(I)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.61
CCR9 P51686 16/20 0.56
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
CCR2 P41597 1/20 0.52
BDKRB1 P46663 1/20 0.51
SLC10A6 Q3KNW5 1/20 0.51

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
SCHEMBL29077 0.92 LMNA (0.65) LMNAHTTCCR9TP53MAPT
SCHEMBL27848 0.89 LMNA (0.68) LMNAHTTCCR9TP53MAPT
SCHEMBL27982 0.88 LMNA (0.77) LMNAHTTCCR9TP53MAPT
SCHEMBL14475386 0.86 BDKRB1 (0.56) LMNAHTTCCR9TP53MAPT
SCHEMBL13138224 0.84 LMNA (0.65) LMNAHTTCCR9TP53MAPT
SCHEMBL12032413 0.83 CCR9 (0.82) LMNAHTTCCR9TP53MAPT
SCHEMBL27344 0.82 CCR9 (0.78) LMNAHTTCCR9TP53MAPT
SCHEMBL19860941 0.81 CCR9 (0.78) LMNAHTTCCR9TP53MAPT
SCHEMBL27758 0.80 LMNA (0.78) LMNAHTTCCR9TP53MAPT
SCHEMBL28642 0.80 LMNA (0.74) LMNAHTTCCR9TP53MAPT

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-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
US-7659272-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-02-09 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 LMNA 3548/4885HTT 4358/4885CCR9 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.