SCHEMBL12518641

SCHEMBL12518641

COc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)c2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c3cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)c4cc(NC(C)=O)ccc4OC)ccc3OC)ccc2OCC(=O)O)cc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.48
▸ KISS1R Q969F8 3/20 0.42
▸ IL23R Q5VWK5 6/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ PRKACB P22694 1/20 0.41
▸ CCKBR P32239 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
SCHEMBL12518642 1.00 MC4R (0.48) MC4RKISS1RIL23RSMN1; SMN2MAPK1
SCHEMBL12515484 0.98 MC4R (0.49) MC4RKISS1RIL23RSMN1; SMN2MAPK1
SCHEMBL12515468 0.98 MC4R (0.49) MC4RKISS1RIL23RSMN1; SMN2MAPK1
SCHEMBL12515480 0.98 MC4R (0.49) MC4RKISS1RIL23RSMN1; SMN2MAPK1
SCHEMBL12514979 0.98 MC4R (0.49) MC4RKISS1RIL23RSMN1; SMN2MAPK1
SCHEMBL19445738 0.97 MC4R (0.48) MC4RIL23RPRKACBCCKBR
SCHEMBL13978375 0.95 MC4R (0.47) MC4RKISS1RIL23R
SCHEMBL12515001 0.95 MC4R (0.47) MC4RKISS1RIL23R
SCHEMBL12514982 0.95 MC4R (0.47) MC4RKISS1RIL23R
SCHEMBL12518602 0.94 SMN1; SMN2 (0.47) MC4RSMN1; SMN2MAPK1KDM4EMAPT

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 12 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
EP-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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
US-9457027-B2 Compounds for use in treatment of mucostis CELLCEUTIX CORPORATION (US) 2016-10-04 — — 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-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 — — US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — US disclosed
WO-2012158672-A2 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS POLYMEDIX, INC. (US) 2012-11-22 — — WO 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 (6 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 3911/4885KISS1R 3918/4885IL23R 623/4885
US-20140364364-A1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS MUC1, FUT6, MMP8 MC4R 3911/4885KISS1R 3918/4885IL23R 623/4885
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 MC4R 3911/4885KISS1R 3918/4885IL23R 623/4885
US-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI MC4R 4576/4885KISS1R 4478/4885IL23R 877/4885
US-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 MC4R 1375/4885KISS1R 1469/4885IL23R 3509/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI MC4R 4576/4885KISS1R 4478/4885IL23R 877/4885

“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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