SCHEMBL13077802

SCHEMBL13077802

Cc1cnc(NS(=O)(=O)c2ccc(C(C)C)cc2)c(C(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
BDKRB1 P46663 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CCR9 P51686 1/20 0.42
METAP2 P50579 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KAT6A Q92794 2/20 0.41
SLC40A1 Q9NP59 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
KCNA5 P22460 1/20 0.41

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
SCHEMBL28399 0.89 LMNA (0.54) LMNAHTTBDKRB1KMT2AMEN1
SCHEMBL13138578 0.89 BDKRB1 (0.48) LMNAHTTBDKRB1KMT2AMEN1
SCHEMBL13077856 0.86 FFAR4 (0.50) LMNAHTTBDKRB1KMT2AMEN1
SCHEMBL14641260 0.86 LMNA (0.43) LMNAHTTBDKRB1KMT2AMEN1
SCHEMBL13950288 0.82 LMNA (0.42) LMNAHTTBDKRB1ALDH1A1METAP2
SCHEMBL16479405 0.82 LMNA (0.71) LMNAHTTBDKRB1KMT2AMEN1
SCHEMBL12373242 0.82 LMNA (0.46) LMNAHTTBDKRB1KMT2AMEN1
SCHEMBL12373241 0.81 ALDH1A1 (0.53) LMNAHTTBDKRB1KMT2AMEN1
SCHEMBL12373243 0.81 ALDH1A1 (0.50) LMNAHTTBDKRB1KMT2AMEN1
SCHEMBL12373240 0.80 LMNA (0.44) LMNAHTTBDKRB1KMT2AMEN1

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-20100280074-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-11-04 US disclosed
US-7659272-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-02-09 US disclosed
US-20090054495-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2009-02-26 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 (2 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-20100280074-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885BDKRB1 81/4885
US-20090054495-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885BDKRB1 81/4885

“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.