SCHEMBL12444094

SCHEMBL12444094

CCCNC(=O)c1cc(C(N)=O)c(OCCCCCN/C(C)=N\C(=O)OC(C)(C)C)cc1OCCCCCN/C(C)=N\C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ SMPD1 P17405 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35

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
SCHEMBL16284410 0.90 CA2 (0.35) ALDH1A1CA12CA1CA2CA9
SCHEMBL12444079 0.85 CA12 (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL17943952 0.83 CA12 (0.34) CA12CA1CA2CA9KMT2A
SCHEMBL13962773 0.82 CA12 (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL15942790 0.79 CA2 (0.37) ALDH1A1CA12CA1CA2CA9
SCHEMBL19945136 0.79 CA2 (0.37) ALDH1A1CA12CA1CA2CA9
SCHEMBL12444086 0.79 MEN1 (0.45) ALDH1A1MEN1KMT2ANR1I2LMNA
SCHEMBL17949894 0.79 CA12 (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL17943953 0.79 CA12 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL12444083 0.77 CA12 (0.44) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 — — US disclosed
US-9795575-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2017-10-24 — — US disclosed
US-9457027-B2 Compounds for use in treatment of mucostis CELLCEUTIX CORPORATION (US) 2016-10-04 — — US disclosed
US-20160213668-A1 Compounds for use in Treatment of Mucostis INNOVATION PHARMACEUTICALS INC. 2016-07-28 — — US disclosed
US-9155738-B2 Compounds for use in treatment of mucostitis CELLCEUTIX CORPORATION (US) 2015-10-13 — — US disclosed
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS INNOVATION PHARMACEUTICALS INC. 2014-12-11 — — US disclosed
US-20110178104-A1 Anti-Heparin Compounds POLYMEDIX INC. (US) 2011-07-21 — — 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 (4 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 ALDH1A1 1289/4885CA12 288/4885CA1 1929/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 ALDH1A1 3248/4885CA12 99/4885CA1 354/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI ALDH1A1 899/4885CA12 310/4885CA1 2128/4885
US-20160213668-A1 Compounds for use in Treatment of Mucostis MUC1, SOST, ALG1 ALDH1A1 1127/4885CA12 246/4885CA1 2584/4885

“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.

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