SCHEMBL22054518

SCHEMBL22054518

CC(C)(C)OC(=O)N1CCC(C(=O)NC(Cc2csc3ccccc23)C(=O)N[C@](C)(Cc2c[nH]c3ccccc23)C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CTSL P07711 3/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CCKBR P32239 1/20 0.45
MCL1 Q07820 1/20 0.44
ECE1 P42892 1/20 0.44
GHSR Q92847 1/20 0.43

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
SCHEMBL19203559 0.89 MEN1 (0.61) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL19203560 0.81 MEN1 (0.48) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL6160782 0.81 MEN1 (0.73) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6162223 0.81 MEN1 (0.73) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL22054522 0.78 MEN1 (0.45) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL22054531 0.77 MEN1 (0.45) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL19203445 0.74 CTSL (0.65) CTSLCTSSCTSKCCKBRTP53
SCHEMBL4904222 0.74 CTSL (0.49) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6164208 0.72 MEN1 (0.58) MEN1KMT2ACTSLHDAC3HDAC4
SCHEMBL6164202 0.72 MEN1 (0.58) MEN1KMT2ACTSLHDAC3HDAC4

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-20210253634-A1 PROCESS FOR THE LIQUID PHASE SYNTHESIS OF H-INP-(D)BAL-(D)TRP-PHE-APC-NH2, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ALLERGAN GI CORP (US) 2021-08-19 US disclosed
US-20200172572-A1 PROCESS FOR THE LIQUID PHASE SYNTHESIS OF H-INP-(D)BAL-(D)TRP-PHE-APC-NH2, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ALLERGAN GI CORP (US) 2020-06-04 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-20210253634-A1 PROCESS FOR THE LIQUID PHASE SYNTHESIS OF H-INP-(D)BAL-(D)TRP-PHE-APC-NH2, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF VIP, IAPP, PROKR1 MEN1 182/4885KMT2A 3727/4885CTSL 1982/4885
US-20200172572-A1 PROCESS FOR THE LIQUID PHASE SYNTHESIS OF H-INP-(D)BAL-(D)TRP-PHE-APC-NH2, AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF VIP, IAPP, PROKR1 MEN1 182/4885KMT2A 3727/4885CTSL 1982/4885

“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.