SCHEMBL19945192

SCHEMBL19945192

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ LNPEP Q9UIQ6 4/20 0.43
▸ ERAP2 Q6P179 2/20 0.43
▸ SSTR3 P32745 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ F2 P00734 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ PSMB8 P28062 1/20 0.38
▸ PSMB9 P28065 1/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ PSMB10 P40306 1/20 0.38
▸ PSMB2 P49721 1/20 0.38
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL12514988 0.99 TSHR (0.46) TSHRLNPEPERAP2SSTR3ROCK2
SCHEMBL19445896 0.95 TSHR (0.49) TSHRLNPEPERAP2SSTR3ROCK2
SCHEMBL12515011 0.94 TSHR (0.50) TSHRLNPEPERAP2SSTR3ROCK2
SCHEMBL21371961 0.90 TSHR (0.43) TSHRSSTR3FPR2LTA4HFFAR1
SCHEMBL19944796 0.90 TSHR (0.43) TSHRSSTR3FPR2LTA4HFFAR1
SCHEMBL21371614 0.90 ERAP2 (0.42) TSHRLNPEPERAP2LTA4HERAP1
SCHEMBL19219773 0.90 ERAP2 (0.42) TSHRLNPEPERAP2LTA4HERAP1
SCHEMBL21371982 0.90 ERAP2 (0.42) TSHRLNPEPERAP2LTA4HERAP1
SCHEMBL13977371 0.90 TSHR (0.45) TSHRLNPEPERAP2SSTR3ROCK2
SCHEMBL12514974 0.89 TSHR (0.44) TSHRSSTR3FPR2LTA4HFFAR1

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 4769/4885LNPEP 802/4885ERAP2 692/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI TSHR 4769/4885LNPEP 802/4885ERAP2 692/4885

“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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