SCHEMBL752989

SCHEMBL752989

CC(C)N1CC(C(=O)c2ncc(Cc3ccc(F)cc3)s2)=C(O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
OPRK1 P41145 1/20 0.42
CCR6 P51684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ABL1 P00519 1/20 0.37
LIPG Q9Y5X9 2/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL2489691 0.87 NPSR1 (0.40) SMN1; SMN2NPSR1GAAOPRK1CCR6
SCHEMBL751203 0.86 LIPG (0.50) SMN1; SMN2NPSR1GAAOPRK1CCR6
SCHEMBL3428686 0.83 HSD17B2 (0.38) SMN1; SMN2NPSR1GAAOPRK1CCR6
SCHEMBL752070 0.83 SMN1; SMN2 (0.43) SMN1; SMN2NPSR1GAAOPRK1CCR6
SCHEMBL3431204 0.83 HDAC1 (0.37) SMN1; SMN2KMT2AKDM4ENPC1ALDH1A1
SCHEMBL2779143 0.82 NPSR1 (0.39) SMN1; SMN2NPSR1GAAOPRK1CCR6
SCHEMBL16908924 0.81 NPSR1 (0.35) SMN1; SMN2NPSR1GAAOPRK1CCR6
SCHEMBL752004 0.79 ALDH1A1 (0.40) NPSR1CCR6MEN1KMT2AKDM4E
SCHEMBL752970 0.79 PTGIR (0.37) NPSR1ALDH1A1LIPG
SCHEMBL752870 0.78 LIPG (0.35) NPSR1LIPG

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 9 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-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-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 SMN1; SMN2 3953/4885NPSR1 4178/4885GAA 1106/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885NPSR1 4131/4885GAA 1442/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI SMN1; SMN2 3746/4885NPSR1 4131/4885GAA 1442/4885

“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.