SCHEMBL19203659

SCHEMBL19203659

CCNC(Cc1csc2ccccc12)C(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CYP2A6 P11509 2/20 0.46
TACR1 P25103 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
F10 P00742 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL22679775 1.00 MMP2 (0.49) MMP2MMP9MMP8CTSLCTSS
SCHEMBL13953995 0.87 SMN1; SMN2 (0.47) MMP2MMP9MMP8CTSLCTSS
SCHEMBL24511005 0.86 MMP2 (0.54) MMP2MMP9MMP8CTSLCTSS
SCHEMBL16171971 0.85 MMP2 (0.50) MMP2MMP9MMP8CTSLCTSS
SCHEMBL737926 0.85 MMP2 (0.50) MMP2MMP9MMP8CTSLCTSS
SCHEMBL14009997 0.85 MMP2 (0.50) MMP2MMP9MMP8CTSLCTSS
SCHEMBL22630553 0.83 CTSL (0.51) MMP2MMP9MMP8CTSLCTSS
SCHEMBL25028225 0.80 CYP2A6 (0.50) MMP2MMP9MMP8CTSLCTSS
SCHEMBL25028227 0.80 CYP2A6 (0.50) MMP2MMP9MMP8CTSLCTSS
SCHEMBL25028226 0.80 CYP2A6 (0.50) MMP2MMP9MMP8CTSLCTSS

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-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 (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-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 MMP2 4578/4885MMP9 4721/4885MMP8 4547/4885
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 MMP2 4578/4885MMP9 4721/4885MMP8 4547/4885

“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.