SCHEMBL19807066

SCHEMBL19807066

C[C@@H](O)[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)CNC(=O)CN)CC(=O)NCCCC[C@@H](C(N)=O)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 4/20 0.49
▸ CTSG P08311 1/20 0.47
▸ FCGRT P55899 1/20 0.46
▸ ITGB3 P05106 1/20 0.45
▸ ITGB1 P05556 1/20 0.45
▸ ITGAV P06756 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ ITGB5 P18084 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ KRAS P01116 1/20 0.45
▸ SSTR1 P30872 2/20 0.44
▸ SSTR2 P30874 2/20 0.44
▸ SSTR4 P31391 2/20 0.44
▸ SSTR3 P32745 2/20 0.44
▸ SSTR5 P35346 2/20 0.44
▸ MC4R P32245 2/20 0.44
▸ MC1R Q01726 2/20 0.44
▸ FURIN P09958 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43

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
SCHEMBL19806987 0.92 PIN1 (0.51) PIN1CTSGITGB3ITGB1ITGAV
SCHEMBL24713050 0.88 SSTR2 (0.53) PIN1CTSGITGB3ITGB1ITGAV
SCHEMBL19473994 0.84 FURIN (0.45) MC4RMC1RFURINSIRT2SIRT1
SCHEMBL24713080 0.83 SSTR2 (0.51) PIN1CTSGITGB3ITGB1ITGAV
SCHEMBL19474000 0.82 FURIN (0.45) PIN1CTSGFCGRTPLAUMC4R
SCHEMBL19473798 0.82 MC4R (0.47) PIN1MC4RMC1RFURINSIRT2
SCHEMBL19473982 0.82 MC4R (0.57) MC4RMC1R
SCHEMBL19473830 0.81 MC4R (0.57) MC4RMC1R
SCHEMBL19473973 0.80 MC4R (0.58) MC4RMC1R
SCHEMBL19473816 0.80 MC4R (0.49) MC4RMC1RSIRT2SIRT1SIRT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022780-A1 STABILIZATION ADRENOMEDULLIN DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-01-25 — — 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-20180022780-A1 STABILIZATION ADRENOMEDULLIN DERIVATIVES AND USE THEREOF ADM2, SERPINA6, SERPINC1 PIN1 1016/4885CTSG 1411/4885FCGRT 2514/4885

“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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