SCHEMBL19806913

SCHEMBL19806913

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)NCC(=O)N[C@H]1CNC(=O)CC[C@@H](C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCCNC(=N)N)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 5/20 0.47
▸ PLAU P00749 1/20 0.46
▸ CTSG P08311 2/20 0.46
▸ ALB P02768 1/20 0.45
▸ PLK1 P53350 1/20 0.44
▸ 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
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT7 Q9NRC8 1/20 0.44
▸ SIRT3 Q9NTG7 1/20 0.44
▸ PIN1 Q13526 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.41
▸ KLKB1 P03952 2/20 0.41
▸ TSLP Q969D9 1/20 0.41
▸ ITGB3 P05106 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
SCHEMBL19806911 0.99 KEAP1 (0.47) KEAP1PLAUCTSGALBPLK1
SCHEMBL19807007 0.92 CTSG (0.50) PLAUCTSGALBSSTR1SSTR2
SCHEMBL24713350 0.80 PIN1 (0.53) KEAP1PLAUCTSGSIRT2SIRT1
SCHEMBL19806987 0.78 PIN1 (0.51) KEAP1PLAUCTSGSSTR1SSTR2
SCHEMBL24713050 0.76 SSTR2 (0.53) KEAP1PLAUCTSGSSTR1SSTR2
SCHEMBL19807066 0.76 PIN1 (0.49) PLAUCTSGSSTR1SSTR2SSTR4
SCHEMBL8365140 0.72 ITGB3 (0.47) KEAP1PLAUCTSGNFE2L2KLKB1
SCHEMBL7743670 0.72 ITGB3 (0.56) CTSGITGB3ITGB1ITGAVITGA5
SCHEMBL7744260 0.72 ITGB3 (0.56) CTSGITGB3ITGB1ITGAVITGA5
SCHEMBL22970321 0.72 ITGB3 (0.56) CTSGITGB3ITGB1ITGAVITGA5

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 KEAP1 278/4885PLAU 198/4885CTSG 1411/4885

“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.

Send feedback