SCHEMBL19214484

SCHEMBL19214484

COc1ccc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c3cc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)c4cc(NC(C)=O)ccc4OC)ccc3OC)ccc2OC)cc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KCNB1 Q14721 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY4R P50391 1/20 0.35
▸ POLB P06746 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
SCHEMBL10262220 0.97 ALDH1A1 (0.41) ALDH1A1TSHRMMP2KMT2ACA1
SCHEMBL12515508 0.97 ALDH1A1 (0.41) ALDH1A1TSHRMMP2KMT2ACA1
SCHEMBL15277753 0.97 ALDH1A1 (0.41) ALDH1A1TSHRMMP2KMT2ACA1
SCHEMBL21371949 0.96 CA1 (0.40) ALDH1A1TSHRMMP2KMT2ACA1
SCHEMBL19486135 0.96 CA1 (0.40) ALDH1A1TSHRMMP2KMT2ACA1
SCHEMBL13973798 0.93 ALDH1A1 (0.37) ALDH1A1TSHRMMP2KMT2ACA1
SCHEMBL13973875 0.92 NPY4R (0.41) TSHRMMP2KMT2ALMNAKCNB1
SCHEMBL10199252 0.92 NPY4R (0.41) TSHRMMP2KMT2ALMNAKCNB1
SCHEMBL12514984 0.92 NPY4R (0.41) TSHRMMP2KMT2ALMNAKCNB1
SCHEMBL10262865 0.92 NPY4R (0.41) TSHRMMP2KMT2ALMNAKCNB1

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-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — US disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 — — 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ALDH1A1 1289/4885TSHR 4275/4885MMP2 367/4885

“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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