SCHEMBL19944796

SCHEMBL19944796

COc1ccc(NC(=O)[C@H](CCCCCN)NC(=O)c2cc(NC(=O)[C@H](CCCCN)NC(=O)c3cc(NC(=O)[C@H](CCCCN)NC(=O)c4cc(NC(=O)[C@H](CCCCN)NC(=O)Cc5ccccc5)ccc4OC)ccc3OC)ccc2OCC(=O)O)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ PTPN1 P18031 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ FFAR1 O14842 2/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL21371961 1.00 TSHR (0.43) TSHRPTPN1HDAC3HDAC4HDAC1
SCHEMBL12514974 0.99 TSHR (0.44) TSHRPTPN1HDAC3HDAC4HDAC1
SCHEMBL21372024 0.94 TSHR (0.47) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL12515010 0.94 TSHR (0.48) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL21372022 0.91 HDAC1 (0.44) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL12514985 0.91 MMP2 (0.43) TSHRHDAC3HDAC4HDAC1HDAC7
SCHEMBL19945192 0.90 TSHR (0.45) TSHRPTPN1FFAR1LTA4HSSTR3
SCHEMBL12514988 0.89 TSHR (0.46) TSHRPTPN1FFAR1LTA4HSSTR3
SCHEMBL21371982 0.89 ERAP2 (0.42) TSHRFFAR1ITGB3ITGA2BLTA4H
SCHEMBL21371614 0.89 ERAP2 (0.42) TSHRFFAR1ITGB3ITGA2BLTA4H

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-10206894-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2019-02-19 — — US disclosed
US-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 — — 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-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI TSHR 4769/4885PTPN1 3664/4885HDAC3 291/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI TSHR 4769/4885PTPN1 3664/4885HDAC3 291/4885

“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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