SCHEMBL20420459

SCHEMBL20420459

CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(CCC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 2/20 0.56
▸ SSTR3 P32745 1/20 0.52
▸ MMP3 P08254 6/20 0.49
▸ MMP1 P03956 4/20 0.49
▸ CPA1 P15085 1/20 0.47
▸ CPA2 P48052 1/20 0.47
▸ CPA4 Q9UI42 1/20 0.47
▸ MMP9 P14780 3/20 0.46
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL24101424 0.87 SSTR3 (0.54) CALCRLSSTR3MMP3MMP1MMP9
SCHEMBL13684815 0.87 SSTR3 (0.56) CALCRLSSTR3MMP3MMP1GNPAT
SCHEMBL14821040 0.86 SSTR3 (0.55) CALCRLSSTR3MMP3LTA4H
SCHEMBL18494988 0.86 SSTR3 (0.55) CALCRLSSTR3MMP3LTA4H
SCHEMBL17706674 0.86 SSTR3 (0.55) CALCRLSSTR3MMP3LTA4H
SCHEMBL14872058 0.84 SSTR3 (0.55) CALCRLSSTR3MMP3LTA4H
SCHEMBL14821599 0.83 MMP1 (0.57) MMP3MMP1MMP9GNPAT
SCHEMBL12245289 0.83 SSTR3 (0.53) CALCRLSSTR3MMP3MMP1PLG
SCHEMBL22096459 0.82 SSTR3 (0.51) CALCRLSSTR3MMP3MMP1MMP9
SCHEMBL25083563 0.82 CALCRL (0.56) CALCRLSSTR3CPA1CPA2CPA4

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-10287256-B2 Selective sulfonation of benzodiazepine derivatives IMMUNOGEN, INC. (US) 2019-05-14 — — US disclosed
US-20180208562-A1 Selective Sulfonation of Benzodiazepine Derivatives IMMUNOGEN, INC. 2018-07-26 — — 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-20180208562-A1 Selective Sulfonation of Benzodiazepine Derivatives GABRA2, GABRA4, GABRA1 CALCRL 3719/4885SSTR3 1428/4885MMP3 4864/4885
US-10287256-B2 Selective sulfonation of benzodiazepine derivatives GABRA2, GABRA4, GABRA1 CALCRL 3719/4885SSTR3 1428/4885MMP3 4864/4885

“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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