SCHEMBL2622353

SCHEMBL2622353

CCC/C(=N\OCC)C1=C(O)CC(CC(C)SC)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.35
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL11059745 1.00 MEN1 (0.41) MEN1KMT2ATSHRALDH1A1HTT
Sethoxydim SCHEMBL19210828 0.91 TSHR (0.51) MEN1KMT2ATSHRALDH1A1HTT
Sethoxydim SCHEMBL9523902 0.91 TSHR (0.51) MEN1KMT2ATSHRALDH1A1HTT
Sethoxydim SCHEMBL16713733 0.91 TSHR (0.51) MEN1KMT2ATSHRALDH1A1HTT
Sethoxydim SCHEMBL28586292 0.91 TSHR (0.51) MEN1KMT2ATSHRALDH1A1HTT
Sethoxydim SCHEMBL33669 0.91 TSHR (0.51) MEN1KMT2ATSHRALDH1A1HTT
Sethoxydim SCHEMBL33668 0.91 TSHR (0.51) MEN1KMT2ATSHRALDH1A1HTT
Sethoxydim SCHEMBL1561200 0.91 TSHR (0.51) MEN1KMT2ATSHRALDH1A1HTT
Sethoxydim SCHEMBL8191351 0.91 TSHR (0.51) MEN1KMT2ATSHRALDH1A1HTT
Sethoxydim SCHEMBL17144555 0.90 TSHR (0.50) MEN1KMT2ATSHRALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY KOYUNCU EMRE (US) 2015-05-21 US disclosed
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY KOYUNCU EMRE (US) 2015-05-21 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
EP-2581081-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-04-17 EP disclosed
EP-2572712-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-27 EP disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
WO-2012139028-A2 ANTI-VIRAL COMBINATION THERAPY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-10-11 WO disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 US disclosed
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 WO disclosed
US-4460402-A Synergistic herbicide compositions of phenoxybenzoic acids and cyclohexanediones RHONE-POULENC AGROCHIMIE (FR) 1984-07-17 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 (4 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 MEN1 4221/4885KMT2A 3171/4885TSHR 4401/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 MEN1 4221/4885KMT2A 3171/4885TSHR 4401/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 MEN1 4221/4885KMT2A 3171/4885TSHR 4401/4885
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY HAVCR2, MAVS, ZC3HAV1 MEN1 4738/4885KMT2A 3077/4885TSHR 4542/4885

“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.