Sugi Predict

Sugi Predict / Compounds / SCHEMBL85866

SCHEMBL85866

SCHEMBL85866

CNc1cc(C(C)(C)C)cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)c4cccc(C(=O)Nc5cc(C(C)(C)C)cc(NC(=O)c6cccc(C(=O)Nc7cc(C(C)(C)C)cc(NC(=O)c8cccc(C(=O)Nc9cc(C(C)(C)C)cc(NC(=O)c%10cccc(C(=O)Nc%11cc(C(C)(C)C)cc(NC(=O)c%12cccc(C(=O)Nc%13cc(C(C)(C)C)cc(NC(=O)c%14cccc(C(=O)Nc%15cc(C(C)(C)C)cc(NC(=O)c%16cccc(C(=O)Nc%17cc(C(C)(C)C)cc(NC(=O)c%18cccc(C(=O)Nc%19cc(C(C)(C)C)cc(NC(=O)c%20cccc(C(C)=O)c%20)c%19SCCN)c%18)c%17SCCN)c%16)c%15SCCN)c%14)c%13SCCN)c%12)c%11SCCN)c%10)c9SCCN)c8)c7SCCN)c6)c5SCCN)c4)c3SCCN)c2)c1SCCN

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.44
▸ KIF11 P52732 2/20 0.43
▸ CREBBP Q92793 4/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ HDAC2 Q92769 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PYGM P11217 1/20 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
SCHEMBL11927728 1.00 NR1H4 (0.44) NR1H4KIF11CREBBPHDAC8HDAC6
SCHEMBL15176889 0.89 KIF11 (0.46) NR1H4KIF11CREBBPHDAC8HDAC6
SCHEMBL85827 0.89 KIF11 (0.41) NR1H4KIF11HDAC8HDAC6KCNK9
SCHEMBL11927722 0.89 NR1H4 (0.42) NR1H4CREBBPHDAC8HDAC6HDAC1
SCHEMBL11927720 0.88 THRB (0.43) KIF11CREBBPHDAC8HDAC6HDAC1
SCHEMBL11927730 0.87 KIF11 (0.45) KIF11CREBBPHDAC8HDAC6HDAC1
SCHEMBL85722 0.84 PTGS1 (0.44) NR1H4KIF11HDAC8HDAC6HDAC1
SCHEMBL85871 0.83 HDAC3 (0.42) NR1H4KIF11HDAC8HDAC6HDAC1
SCHEMBL85874 0.82 HDAC3 (0.44) KIF11HDAC8HDAC6HDAC1HDAC2
SCHEMBL10261810 0.81 KIF11 (0.38) NR1H4KIF11HDAC8HDAC6KCNK9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS INNOVATION PHARMACEUTICALS INC. 2014-12-11 — — US disclosed
US-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 — — US disclosed
US-20140051762-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF POLYMEDIX, INC. 2014-02-20 — — US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — US disclosed
US-20120258141-A9 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-11 — — US disclosed
US-8129566-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2012-03-06 — — US disclosed
US-20120039945-A1 Methods Of Immune Modulation UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-02-16 — — US disclosed
US-20110124664-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2011-05-26 — — 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 (6 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 NR1H4 387/4885KIF11 2152/4885CREBBP 1436/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 NR1H4 387/4885KIF11 2152/4885CREBBP 1436/4885
US-20120258141-A9 Methods Of Immune Modulation IFNG, CD14, TLR3 NR1H4 342/4885KIF11 4289/4885CREBBP 1171/4885
US-20120039945-A1 Methods Of Immune Modulation IFNG, CD14, TLR3 NR1H4 342/4885KIF11 4289/4885CREBBP 1171/4885
US-20110124664-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF NR1H4 1997/4885KIF11 3075/4885CREBBP 2608/4885
US-20140051762-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF VEGFA, VHL, PGF NR1H4 1997/4885KIF11 3075/4885CREBBP 2608/4885

“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.