SCHEMBL22054525

SCHEMBL22054525

CC(C)(C)OC(=O)N1CCC(C(=O)ON2CCCC2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.53
▸ RECQL P46063 1/20 0.48
▸ PTPN2 P17706 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ PTPN6 P29350 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ EPHX1 P07099 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ RIN1 Q13671 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GPR119 Q8TDV5 3/20 0.42
▸ STS P08842 5/20 0.42
▸ HSD17B10 Q99714 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
SCHEMBL5494939 0.84 HPGD (0.52) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL27661363 0.78 SMN1; SMN2 (0.39) HPGDNPC1RAB9AKMT2A
SCHEMBL11904378 0.78 HPGD (0.66) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL22720456 0.77 HPGD (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL25964500 0.77 DRD2 (0.48) KDM4EKMT2A
SCHEMBL4229071 0.77 HPGD (0.64) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL189570 0.76 FPR2 (0.51) HPGDPTPN2PTPN1PTPN6NPC1
SCHEMBL8892804 0.76 KDM4E (0.55) HPGDEPHX1KDM4EGPR119
SCHEMBL12071961 0.76 HPGD (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL17469340 0.76 HPGD (0.50) HPGDRECQLPTPN2PTPN1PTPN6

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 HPGD 601/4885RECQL 1608/4885PTPN2 4151/4885
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 HPGD 601/4885RECQL 1608/4885PTPN2 4151/4885

“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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