SCHEMBL19214489

SCHEMBL19214489

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)N)NC(=O)c4cc(NC(=O)[C@@H](N)Cc5c[nH]c6ccccc56)ccc4OC)ccc3OC)ccc2OCC(=O)O)cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.46
▸ NPBWR1 P48145 2/20 0.42
▸ KISS1R Q969F8 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PRKACB P22694 1/20 0.42
▸ CCKBR P32239 2/20 0.42
▸ ERAP2 Q6P179 2/20 0.41
▸ ERAP1 Q9NZ08 2/20 0.41
▸ LNPEP Q9UIQ6 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL12514972 0.97 MC4R (0.46) MC4RKISS1RKDM4EMAPTHPGD
SCHEMBL13973857 0.97 MC4R (0.46) MC4RKISS1RKDM4EMAPTHPGD
SCHEMBL13973837 0.97 MC4R (0.46) MC4RKISS1RKDM4EMAPTHPGD
SCHEMBL13973759 0.97 MC4R (0.46) MC4RKISS1RKDM4EMAPTHPGD
SCHEMBL19486139 0.96 MC4R (0.45) MC4RNPBWR1PRKACBCCKBRERAP2
SCHEMBL19219797 0.96 MC4R (0.45) MC4RNPBWR1PRKACBCCKBRERAP2
SCHEMBL12518615 0.96 MC4R (0.41) MC4RNPBWR1KDM4EMAPTHPGD
SCHEMBL12514971 0.95 MC4R (0.44) MC4RNPBWR1KISS1RERAP2ERAP1
SCHEMBL12515484 0.94 MC4R (0.49) MC4RKISS1RKDM4EMAPTHPGD
SCHEMBL12515480 0.94 MC4R (0.49) MC4RKISS1RKDM4EMAPTHPGD

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 MC4R 3911/4885NPBWR1 3749/4885KISS1R 3918/4885

“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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