SCHEMBL2622337

SCHEMBL2622337

CC(=O)OCC(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 4/20 0.59
FFAR1 O14842 1/20 0.56
ALDH1A1 P00352 5/20 0.55
LIPE Q05469 1/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SCN9A Q15858 1/20 0.48

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
SCHEMBL10642006 0.89 LMNA (0.58) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL10584608 0.85 FFAR1 (0.68) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL16726906 0.85 L3MBTL1 (0.49) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL11349350 0.85 SMN1; SMN2 (0.60) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL10643790 0.84 LMNA (0.60) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL9362359 0.84 SMN1; SMN2 (0.55) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL14773341 0.84 KMT2A (0.68) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL2622341 0.83 SMN1; SMN2 (0.59) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL9366059 0.82 SMN1; SMN2 (0.58) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE
SCHEMBL10642280 0.82 SMN1; SMN2 (0.59) SMN1; SMN2LMNAFFAR1ALDH1A1LIPE

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 13 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-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
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
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
EP-0000483-B1 TRIFLUOROMETHYL PYRIDINYL(OXY/THIO)PHENOXY PROPANOIC ACIDS AND PROPANOLS AND DERIVATIVES THEREOF THE DOW CHEMICAL COMPANY (US) 1981-10-14 EP disclosed
EP-0000483-A1 Trifluoromethyl pyridinyl(oxy/thio)phenoxy propanoic acids and propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1979-02-07 EP 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 SMN1; SMN2 2585/4885LMNA 4191/4885FFAR1 2747/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 SMN1; SMN2 2585/4885LMNA 4191/4885FFAR1 2747/4885
US-20150139949-A1 ANTI-VIRAL COMBINATION THERAPY HAVCR2, MAVS, ZC3HAV1 SMN1; SMN2 4448/4885LMNA 4540/4885FFAR1 4134/4885

“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.