SCHEMBL2226221

SCHEMBL2226221

CCCCC1(c2ccccc2O)CNCCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.35
OPRK1 P41145 4/20 0.35
OPRL1 P41146 3/20 0.35
OPRD1 P41143 3/20 0.35
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CCR1 P32246 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL18725307 0.80 HTR7 (0.34) OPRM1OPRK1OPRD1
SCHEMBL4421968 0.76 OPRM1 (0.36) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL18284750 0.75 OPRM1 (0.39) OPRM1OPRK1OPRD1SLC6A4
SCHEMBL2732717 0.75 HCAR2 (0.34) OPRM1OPRK1OPRL1OPRD1
SCHEMBL2452095 0.73 SIGMAR1 (0.33) OPRM1OPRK1NPC1SLC6A2SLC6A4
SCHEMBL20504486 0.71 HSD17B10 (0.35) CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL8817763 0.71 GNAI3 (0.35) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL27587006 0.70 SIGMAR1 (0.36) OPRM1OPRD1CYP2D6SLC6A2SLC6A4
SCHEMBL15094673 0.69 APP (0.39) OPRM1OPRK1OPRL1OPRD1
SCHEMBL25181136 0.68 GNAI3 (0.33)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2544535-B1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE NORTH CAROLINA CENTRAL UNIV (US) 2017-04-19 EP claimed
US-20130345235-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-12-26 US claimed
US-20130345196-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2013-12-26 US claimed
US-9617239-B2 Phenoxy thiophene sulfonamides and their use as inhibitors of glucuronidase NORTH CAROLINA CENTRAL UNIVERSITY (US) 2017-04-11 US disclosed
US-20130345196-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2013-12-26 US disclosed
US-20130345235-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-12-26 US disclosed
WO-2011112858-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE NORTH CAROLINA CENTRAL UNIVERSITY (US) 2011-09-15 WO disclosed
WO-2011084503-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES NORTH CAROLINA CENTRAL UNIVERSITY (US) 2011-07-14 WO 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-20130345235-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE CES2, TOP1, GUSB OPRM1 4217/4885OPRK1 3928/4885OPRL1 3103/4885
US-20130345196-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE TOP2A, TOP1, TOP2B OPRM1 3533/4885OPRK1 3132/4885OPRL1 1079/4885

“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.