SCHEMBL13077403

SCHEMBL13077403

Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)c2cccc(F)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.64
LMNA P02545 3/20 0.64
HTT P42858 2/20 0.64
MAPT P10636 2/20 0.63
KMT2A Q03164 2/20 0.63
TP53 P04637 1/20 0.63
ALDH1A1 P00352 3/20 0.59
CYP1A2 P05177 2/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
METAP2 P50579 3/20 0.57
CCR9 P51686 1/20 0.56
SLC10A2 Q12908 1/20 0.51
SLC10A1 Q14973 1/20 0.51
SLC10A6 Q3KNW5 1/20 0.51
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.48
TCF4 P15884 1/20 0.48
CTNNB1 P35222 1/20 0.48

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
SCHEMBL27062 0.91 LMNA (0.79) BDKRB1LMNAHTTMAPTKMT2A
SCHEMBL12220857 0.87 LMNA (0.81) BDKRB1LMNAHTTMAPTKMT2A
SCHEMBL13484207 0.86 LMNA (0.72) BDKRB1LMNAHTTMAPTKMT2A
SCHEMBL28841475 0.81 BDKRB1 (0.59) BDKRB1LMNAHTTMAPTKMT2A
SCHEMBL29878721 0.81 BDKRB1 (0.59) BDKRB1LMNAHTTMAPTKMT2A
SCHEMBL2534878 0.81 LMNA (0.86) BDKRB1LMNAHTTMAPTKMT2A
SCHEMBL13077399 0.80 LMNA (0.66) BDKRB1LMNAHTTMAPTKMT2A
SCHEMBL10251870 0.80 CCR9 (0.70) LMNAHTTMAPTKMT2ATP53
SCHEMBL13138224 0.79 LMNA (0.65) BDKRB1LMNAHTTMAPTKMT2A
SCHEMBL10248298 0.79 LMNA (0.56) LMNAHTTMAPTKMT2ATP53

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-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

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-20100280074-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 BDKRB1 81/4885LMNA 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.