SCHEMBL23347148

SCHEMBL23347148

CC(SS)C(=O)OCc1ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCN2C(=O)C=CC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 2/20 0.48
▸ SSTR3 P32745 1/20 0.46
▸ HDAC1 Q13547 1/20 0.41
▸ FAP Q12884 1/20 0.40
▸ MMP3 P08254 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ SIRT2 Q8IXJ6 4/20 0.39
▸ SIRT1 Q96EB6 4/20 0.39
▸ SIRT3 Q9NTG7 2/20 0.38

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
SCHEMBL24829447 0.92 CALCRL (0.51) CALCRLSSTR3HDAC1FAPMMP3
SCHEMBL23330068 0.92 CALCRL (0.51) CALCRLSSTR3HDAC1FAPMMP3
SCHEMBL22910386 0.90 CALCRL (0.51) CALCRLSSTR3HDAC1FAPMMP3
SCHEMBL24164777 0.89 CALCRL (0.50) CALCRLSSTR3HDAC1FAPF2
SCHEMBL24829565 0.88 CALCRL (0.49) CALCRLSSTR3HDAC1FAPMMP3
SCHEMBL27058431 0.88 CALCRL (0.55) CALCRLSSTR3HRH1F2
SCHEMBL23286123 0.83 CALCRL (0.52) CALCRLSSTR3HDAC1
SCHEMBL23347260 0.82 CALCRL (0.47) CALCRLSSTR3HDAC1MMP3HRH1
SCHEMBL24829473 0.81 SSTR3 (0.57) CALCRLSSTR3SIRT2SIRT1SIRT3
SCHEMBL21065668 0.81 FAP (0.42) CALCRLFAPSIRT2SIRT1SIRT3

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-20210139477-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-13 — — 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-20210139477-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF ALK, ALKBH5, ACVR1 CALCRL 4173/4885SSTR3 2097/4885HDAC1 2871/4885

“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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