SCHEMBL16284384

SCHEMBL16284384

CCCSc1c(N)cc(C(C)(C)C)cc1NC(=O)c1cccc(C(=O)Nc2cc(C(C)(C)C)cc(N)c2SCCN)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
KIF11 P52732 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NR1H4 Q96RI1 2/20 0.37
RAB9A P51151 2/20 0.37
KCNK9 Q9NPC2 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
KCNK3 O14649 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
NCOR1 O75376 1/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL85722 0.96 PTGS1 (0.44) PTGS1KIF11MAPTMEN1KMT2A
SCHEMBL10198572 0.92 PTGS1 (0.41) PTGS1KIF11SMN1; SMN2MAPTMEN1
SCHEMBL15176889 0.92 KIF11 (0.46) PTGS1KIF11MAPTMEN1KMT2A
SCHEMBL14655190 0.86 PTGS1 (0.38) PTGS1KIF11MAPTMEN1KMT2A
SCHEMBL15244898 0.84 PTGS1 (0.56) PTGS1MAPTMEN1KMT2ARAB9A
SCHEMBL85827 0.84 KIF11 (0.41) PTGS1KIF11MAPTMEN1KMT2A
SCHEMBL16605514 0.83 PTGS1 (0.38) PTGS1MAPTMEN1KMT2ANR1H4
SCHEMBL15244972 0.83 MEN1 (0.38) KIF11SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL16559046 0.83 HDAC8 (0.43) PTGS1KIF11SMN1; SMN2MAPTMEN1
SCHEMBL85496 0.82 PTGS1 (0.37) PTGS1SMN1; SMN2MAPTMEN1KMT2A

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-9155738-B2 Compounds for use in treatment of mucostitis CELLCEUTIX CORPORATION (US) 2015-10-13 US disclosed
US-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-04-02 US disclosed
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS INNOVATION PHARMACEUTICALS INC. 2014-12-11 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-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 PTGS1 202/4885KIF11 2152/4885SMN1; SMN2 1093/4885
US-20150094294-A1 COMPOUNDS AND METHODS FOR TREATING MALARIA PC, CPS1, GLS2 PTGS1 1018/4885KIF11 2337/4885SMN1; SMN2 2331/4885

“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.