SCHEMBL21186381

SCHEMBL21186381

CC[C@H](C)[C@H](NC(=O)Cc1ccccc1)C(=O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
CCR1 P32246 1/20 0.53
CNR2 P34972 7/20 0.52
CNR1 P21554 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 3/20 0.50
PSMB8 P28062 1/20 0.50
PSMB5 P28074 1/20 0.50
ELANE P08246 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 2/20 0.49
ANPEP P15144 1/20 0.49

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
SCHEMBL5917036 0.89 POLB (0.59) POLBCCR1CNR2CNR1MEN1
SCHEMBL5917035 0.89 POLB (0.59) POLBCCR1CNR2CNR1MEN1
SCHEMBL9830901 0.89 POLB (0.59) POLBCCR1CNR2CNR1MEN1
SCHEMBL16114864 0.89 POLB (0.59) POLBCCR1CNR2CNR1MEN1
SCHEMBL21186412 0.88 POLB (0.57) POLBCCR1CNR2CNR1MEN1
SCHEMBL21186380 0.87 POLB (0.56) POLBCCR1CNR2CNR1MEN1
SCHEMBL16140159 0.85 POLB (0.55) POLBCCR1CNR2CNR1MEN1
SCHEMBL17600390 0.82 ELANE (0.53) POLBCCR1CNR2CNR1MEN1
SCHEMBL19899091 0.82 ELANE (0.53) POLBCCR1CNR2CNR1MEN1
SCHEMBL19591984 0.79 POLB (0.76) POLBCNR2MEN1KMT2ACYP1A2

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-11559590-B2 Granzyme B directed imaging and therapy THE GENERAL HOSPITAL CORPORATION (US) 2023-01-24 US disclosed
US-20190224348-A1 Granzyme B Directed Imaging and Therapy THE GENERAL HOSPITAL CORPORATION 2019-07-25 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 (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-11559590-B2 Granzyme B directed imaging and therapy GZMB, CTSB, PRF1 POLB 681/4885CCR1 457/4885CNR2 4792/4885
US-20190224348-A1 Granzyme B Directed Imaging and Therapy GZMB, CTSB, PRF1 POLB 681/4885CCR1 457/4885CNR2 4792/4885

“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.