SCHEMBL2156573

SCHEMBL2156573

CCOC(=O)/C=C/c1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.46
FAAH O00519 8/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TRPV1 Q8NER1 5/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 1/20 0.40
TTR P02766 1/20 0.40
DPP4 P27487 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL5065679 1.00 GHSR (0.46) GHSRFAAHCA12CA1CA2
SCHEMBL772183 0.98 GHSR (0.46) GHSRFAAHCA12CA1CA2
SCHEMBL3071576 0.86 FAAH (0.51) GHSRFAAHTRPV1CYP3A4ALDH1A1
SCHEMBL3071572 0.86 FAAH (0.51) GHSRFAAHTRPV1CYP3A4ALDH1A1
SCHEMBL3775772 0.84 FAAH (0.48) GHSRFAAHTRPV1CYP3A4ALDH1A1
SCHEMBL3775768 0.84 FAAH (0.48) GHSRFAAHTRPV1CYP3A4ALDH1A1
SCHEMBL12377198 0.84 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL7748042 0.83 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL7748046 0.83 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL16512867 0.81 CA12 (0.50) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-7304085-B2 Nitrogen-containing heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-12-04 US disclosed
US-7304085-B2 Nitrogen-containing heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-12-04 US disclosed
US-7304085-B2 Nitrogen-containing heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-12-04 US disclosed
EP-1631554-A2 NITROGEN-CONTAINING HETEROARYL DERIVATIVES FOR THE TREATMENT OF HCV-INFECTION GENELABS TECHNOLOGIES, INC. (US) 2006-03-08 EP disclosed
US-20050154040-A1 Nitrogen-containing heteroaryl derivatives SMITHKLINE BEECHAM CORPORATION 2005-07-14 US disclosed
WO-2004108687-A2 NITROGEN-CONTAINING HETEROARYL DERIVATIVES FOR THE TREATMENT OF HCV-INFECTION GENELABS TECHNOLOGIES, INC. (US) 2004-12-16 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-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES EIF2AK2, MAVS, NSUN3 GHSR 4667/4885FAAH 2166/4885CA12 4343/4885
US-20050154040-A1 Nitrogen-containing heteroaryl derivatives EIF2AK2, MAVS, NSUN3 GHSR 4667/4885FAAH 2166/4885CA12 4343/4885

“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.