SCHEMBL23824134

SCHEMBL23824134

CSCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)CCCCC(C)C)CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.61
KLKB1 P03952 9/20 0.59
PCSK9 Q8NBP7 1/20 0.58
KLK5 Q9Y337 3/20 0.57
NECTIN4 Q96NY8 3/20 0.54
SSTR1 P30872 1/20 0.52
SSTR2 P30874 1/20 0.52
SSTR4 P31391 1/20 0.52
SSTR3 P32745 1/20 0.52
SSTR5 P35346 1/20 0.52
KCNA3 P22001 1/20 0.51
KCNA1 Q09470 1/20 0.51

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
SCHEMBL30883974 0.81 KLK5 (0.55) CHRNA7KLK5
SCHEMBL29483659 0.81 KLK5 (0.55) CHRNA7KLK5
SCHEMBL23824135 0.79 ACE2 (0.57) KLKB1KLK5NECTIN4
SCHEMBL26935091 0.75 PCSK9 (0.63) KLKB1PCSK9KLK5
SCHEMBL26935089 0.75 HDAC8 (0.57) KLKB1PCSK9KLK5
Human Neutrophil Defensin 1 SCHEMBL29412280 0.75 KLKB1 (0.67) CHRNA7KLKB1KCNA3KCNA1
SCHEMBL29412265 0.74 KLKB1 (0.63) CHRNA7KLKB1KCNA3KCNA1
SCHEMBL24724808 0.73 EPHA2 (0.57) CHRNA7KLKB1PCSK9
SCHEMBL16431238 0.73 OXTR (0.63)
SCHEMBL19754419 0.73 CD274 (0.81) CHRNA7KLKB1PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11357873-B2 Chiral cyclen compounds and their uses THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-06-14 US disclosed
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2021-09-16 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 (2 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-11357873-B2 Chiral cyclen compounds and their uses DCTN3, DCTN1, CDK3 CHRNA7 1475/4885KLKB1 4286/4885PCSK9 4800/4885
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES DCTN3, DCTN1, CDK3 CHRNA7 1475/4885KLKB1 4286/4885PCSK9 4800/4885

“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.