SCHEMBL8130016

SCHEMBL8130016

CCOc1cc(OC)c2sc(C)c(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 4/20 0.32
▸ GAA P10253 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ BPTF Q12830 1/20 0.31
▸ NQO2 P16083 1/20 0.31
▸ TSHR P16473 4/20 0.31
▸ LMNA P02545 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 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
SCHEMBL8240581 0.83 MAPK1 (0.37) KDM4EMAPK1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8273078 0.82 MAPK1 (0.36) KDM4EMAPK1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL13409397 0.79 MAPK1 (0.35) KDM4EMAPK1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8135270 0.77 PDE5A (0.36) KDM4EMAPK1HSD17B10USP2ALDH1A1
SCHEMBL8139669 0.75 USP2 (0.36) KDM4EMAPK1HSD17B10USP2ALDH1A1
SCHEMBL8140632 0.72 USP2 (0.41) KDM4EMAPK1HSD17B10USP2ALDH1A1
SCHEMBL13763658 0.71 USP2 (0.41) KDM4EMAPK1HSD17B10USP2ALDH1A1
SCHEMBL8278961 0.71 LMNA (0.39) KDM4EUSP2ALDH1A1MAPTGAA
SCHEMBL8144562 0.70 ALDH1A1 (0.37) KDM4EUSP2ALDH1A1GAATSHR
SCHEMBL8139676 0.69 PDE4A (0.38) KDM4EUSP2ALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 — — US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 — — US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 — — US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 — — 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 (2 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885MAPK1 3854/4885HSD17B10 3314/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885MAPK1 3854/4885HSD17B10 3314/4885

“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.

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