SCHEMBL13077397

SCHEMBL13077397

Cc1ccc(NS(=O)(=O)c2csc3ccccc23)c(C(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
HTT P42858 3/20 0.53
METAP2 P50579 1/20 0.49
CCKBR P32239 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PIN1 Q13526 1/20 0.46
TP53 P04637 3/20 0.44
GAA P10253 2/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
G6PD P11413 1/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28981 0.87 LMNA (0.58) LMNAHTTCCKBRALDH1A1PIN1
SCHEMBL2530533 0.78 LMNA (0.58) LMNAHTTMETAP2ALDH1A1HPGD
SCHEMBL12220857 0.78 LMNA (0.81) LMNAHTTMETAP2ALDH1A1HPGD
SCHEMBL5597963 0.76 CCKBR (0.62) METAP2CCKBRALDH1A1HPGDHSD17B10
SCHEMBL13484281 0.76 CMA1 (0.58) LMNAHTTMETAP2ALDH1A1
SCHEMBL13484207 0.75 LMNA (0.72) LMNAHTTMETAP2ALDH1A1HPGD
SCHEMBL16479406 0.74 LMNA (0.68) LMNAHTTMETAP2ALDH1A1HPGD
SCHEMBL25072652 0.74 RAD52 (0.56) HTTALDH1A1HPGDHSD17B10TP53
SCHEMBL2534878 0.74 LMNA (0.86) LMNAHTTMETAP2ALDH1A1HPGD
SCHEMBL16479405 0.72 LMNA (0.71) LMNAHTTMETAP2ALDH1A1HPGD

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-20090054495-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20080103180-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-01 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 (3 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 4358/4885METAP2 2446/4885
US-20090054495-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885METAP2 2446/4885
US-20080103180-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 LMNA 3548/4885HTT 4358/4885METAP2 2446/4885

“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.