SCHEMBL756756

SCHEMBL756756

CCOC(=O)c1[nH]n(C)c(=O)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 4/20 0.43
POLB P06746 2/20 0.43
STAT1 P42224 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 1/20 0.43
PPARG P37231 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6093084 0.83 RAB9A (0.49) RAB9ANPC1KMT2AKDM4ESMN1; SMN2
SCHEMBL16925455 0.79 LMNA (0.42) RAB9ANPC1KMT2AKDM4ESMN1; SMN2
SCHEMBL2791986 0.78 RAB9A (0.46) RAB9ANPC1KMT2AKDM4ESMN1; SMN2
SCHEMBL754199 0.77 ALDH1A1 (0.42) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL16921620 0.76 POLB (0.44) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17848969 0.75 KDM4E (0.47) KMT2AKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL18803837 0.74 GABRA1 (0.53) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL2354376 0.73 TUBB4A (0.59) RAB9ANPC1KMT2AKDM4EALDH1A1
SCHEMBL3416727 0.73 KMT2A (0.46) KMT2AKDM4EALDH1A1HPGDMAOB
SCHEMBL1590178 0.72 KMT2A (0.52) RAB9ANPC1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT RAB9A 2373/4885NPC1 1838/4885KMT2A 516/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RAB9A 1242/4885NPC1 2338/4885KMT2A 667/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RAB9A 1242/4885NPC1 2338/4885KMT2A 667/4885

“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.