SCHEMBL19203668

SCHEMBL19203668

O=C(NC(Cc1ccccc1)C(=O)N1C(=O)CCC1=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.56
CTSL P07711 6/20 0.55
CTSB P07858 6/20 0.55
CTSS P25774 3/20 0.55
CTSK P43235 3/20 0.55
ALDH1A1 P00352 1/20 0.54
ALOX15 P16050 1/20 0.54
CASP1 P29466 1/20 0.53
CTRB1 P17538 2/20 0.52

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
SCHEMBL17039822 0.84 TACR1 (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL14488100 0.84 TACR1 (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL10977849 0.84 ITGB3 (0.57) TACR1CTSLCTSBCTSSCTSK
SCHEMBL5689118 0.84 TACR1 (0.55) TACR1CTSLCTSBCTSSCTSK
SCHEMBL19203669 0.84 CTSL (0.52) TACR1CTSLCTSBCTSSCTSK
SCHEMBL11257246 0.83 TACR1 (0.63) TACR1CTSLCTSBCTSSCTSK
SCHEMBL11257249 0.83 TACR1 (0.63) TACR1CTSLCTSBCTSSCTSK
SCHEMBL30604928 0.81 CTSB (0.60) CTSLCTSBCTSSCTSKCASP1
SCHEMBL8750811 0.81 TACR1 (0.60) TACR1CTSLCTSBCTSSCTSK
SCHEMBL8750802 0.81 TACR1 (0.60) TACR1CTSLCTSBCTSSCTSK

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 TACR1 170/4885CTSL 1982/4885CTSB 4008/4885
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 TACR1 170/4885CTSL 1982/4885CTSB 4008/4885
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 TACR1 170/4885CTSL 1982/4885CTSB 4008/4885

“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.