SCHEMBL19806987

SCHEMBL19806987

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)NC[C@@H](C(N)=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 5/20 0.51
▸ CTSG P08311 2/20 0.48
▸ PLAU P00749 1/20 0.46
▸ SSTR1 P30872 2/20 0.46
▸ SSTR2 P30874 2/20 0.46
▸ SSTR4 P31391 2/20 0.46
▸ SSTR3 P32745 2/20 0.46
▸ SSTR5 P35346 2/20 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
▸ KEAP1 Q14145 3/20 0.44
▸ KDM4A O75164 1/20 0.43
▸ KRAS P01116 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ KLKB1 P03952 2/20 0.42

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
SCHEMBL19807066 0.92 PIN1 (0.49) PIN1CTSGPLAUSSTR1SSTR2
SCHEMBL24713050 0.90 SSTR2 (0.53) PIN1CTSGPLAUSSTR1SSTR2
SCHEMBL24713080 0.85 SSTR2 (0.51) PIN1CTSGPLAUSSTR1SSTR2
SCHEMBL24713036 0.81 TSLP (0.51) CTSGPLAUSSTR1SSTR2SSTR4
SCHEMBL24713350 0.81 PIN1 (0.53) PIN1CTSGPLAUITGB3ITGB1
SCHEMBL19806911 0.79 KEAP1 (0.47) PIN1CTSGPLAUSSTR1SSTR2
SCHEMBL19806913 0.78 KEAP1 (0.47) PIN1CTSGPLAUSSTR1SSTR2
SCHEMBL19473994 0.77 FURIN (0.45) —
SCHEMBL19807007 0.76 CTSG (0.50) CTSGPLAUSSTR1SSTR2SSTR4
SCHEMBL19474000 0.75 FURIN (0.45) PIN1CTSGPLAU

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 1411/4885PLAU 198/4885

“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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