SCHEMBL205863

SCHEMBL205863

COC(=O)c1ccc2c(c1)COc1cc(N)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.52
MAPT P10636 4/20 0.43
GAA P10253 4/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
ATM Q13315 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK14 Q16539 1/20 0.41
ROCK1 Q13464 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
SCHEMBL38657847 0.95 ROCK2 (0.52) ROCK2MAPTGAALMNARAB9A
SCHEMBL24502972 0.84 KDM4E (0.52) ROCK2GAAKDM4EALDH1A1MAPK14
SCHEMBL205164 0.84 ROCK2 (0.52) ROCK2GAAKDM4EALDH1A1GLA
SCHEMBL4469820 0.84 ROCK2 (0.51) ROCK2
SCHEMBL751196 0.84 KDM4E (0.57) ROCK2MAPTGAATP53KDM4E
SCHEMBL20788479 0.82 ROCK2 (0.55) ROCK2GAAKDM4EALDH1A1GLA
SCHEMBL30529024 0.82 ROCK2 (0.55) ROCK2GAAKDM4EALDH1A1GLA
SCHEMBL24503081 0.82 KDM4E (0.52) ROCK2GAAKDM4EALDH1A1
SCHEMBL2395323 0.80 MAPT (0.53) MAPTGAALMNARAB9ASMN1; SMN2
SCHEMBL205835 0.80 ROCK2 (0.48) ROCK2HPGD

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 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 (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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ROCK2 4091/4885MAPT 2923/4885GAA 151/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ROCK2 4091/4885MAPT 2923/4885GAA 151/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ROCK2 4091/4885MAPT 2923/4885GAA 151/4885

“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.