SCHEMBL19807007

SCHEMBL19807007

CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)NCC(=O)N[C@H]1CSCC[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 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.50
▸ PLAU P00749 2/20 0.50
▸ ALB P02768 1/20 0.48
▸ TSLP Q969D9 4/20 0.46
▸ F12 P00748 5/20 0.46
▸ KLKB1 P03952 2/20 0.44
▸ SSTR1 P30872 2/20 0.43
▸ SSTR2 P30874 2/20 0.43
▸ SSTR4 P31391 2/20 0.43
▸ SSTR3 P32745 2/20 0.43
▸ SSTR5 P35346 2/20 0.43
▸ IL23R Q5VWK5 2/20 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
SCHEMBL19806913 0.92 KEAP1 (0.47) CTSGPLAUALBTSLPF12
SCHEMBL19806911 0.91 KEAP1 (0.47) CTSGPLAUALBTSLPF12
SCHEMBL24713050 0.80 SSTR2 (0.53) CTSGPLAUTSLPKLKB1SSTR1
SCHEMBL19806987 0.76 PIN1 (0.51) CTSGPLAUKLKB1SSTR1SSTR2
SCHEMBL19807066 0.76 PIN1 (0.49) CTSGPLAUKLKB1SSTR1SSTR2
SCHEMBL24713080 0.75 SSTR2 (0.51) CTSGPLAUKLKB1SSTR1SSTR2
SCHEMBL24713350 0.73 PIN1 (0.53) CTSGPLAUTSLP
SCHEMBL24713036 0.72 TSLP (0.51) CTSGPLAUTSLPSSTR1SSTR2
SCHEMBL8365140 0.72 ITGB3 (0.47) CTSGPLAUTSLPKLKB1
SCHEMBL22970321 0.72 ITGB3 (0.56) CTSG

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 CTSG 1411/4885PLAU 198/4885ALB 94/4885

“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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