SCHEMBL19203445

SCHEMBL19203445

CC(C)(C)OC(=O)NC(Cc1csc2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.65
CTSS P25774 2/20 0.65
CTSK P43235 2/20 0.65
ACE P12821 4/20 0.61
MAPT P10636 2/20 0.59
TP53 P04637 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
SCN9A Q15858 1/20 0.56
CCKBR P32239 4/20 0.56
TACR1 P25103 2/20 0.56
REN P00797 1/20 0.54

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
SCHEMBL27871524 0.91 CTSL (0.76) CTSLCTSSCTSKACEMAPT
SCHEMBL27902245 0.91 CTSL (0.76) CTSLCTSSCTSKACEMAPT
SCHEMBL31484559 0.87 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL27885190 0.87 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL30638855 0.87 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL27885189 0.87 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL3825352 0.87 ACE (0.78) CTSLCTSSCTSKACEMAPT
SCHEMBL850438 0.87 ACE (0.77) CTSLCTSSCTSKACEMAPT
SCHEMBL1003555 0.87 ACE (0.77) CTSLCTSSCTSKACEMAPT
SCHEMBL29367687 0.87 ACE (0.77) CTSLCTSSCTSKACEMAPT

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 3 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
US-20170218015-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. 2017-08-03 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 (3 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 CTSL 1982/4885CTSS 4527/4885CTSK 4550/4885
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 CTSL 1982/4885CTSS 4527/4885CTSK 4550/4885
US-20170218015-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 CTSL 1982/4885CTSS 4527/4885CTSK 4550/4885

“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.