SCHEMBL2884199

SCHEMBL2884199

NC(=S)Nc1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.63
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
STING1 Q86WV6 12/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ASH1L Q9NR48 1/20 0.45

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
SCHEMBL4490274 0.84 STING1 (0.59) GAASTING1ALDH1A1KDM4EATM
SCHEMBL15641724 0.83 MAPT (0.49) MAPK1CYP1A2CYP3A4GAAMAPT
SCHEMBL4506896 0.82 STING1 (0.50) MAPK1GAAMAPTSTING1ATM
SCHEMBL28274741 0.82 STING1 (0.50) MAPK1GAAMAPTSTING1ATM
SCHEMBL14889338 0.79 STING1 (0.55) GAAMAPTSTING1ALDH1A1MEN1
SCHEMBL28736881 0.78 STING1 (0.74) STING1ALDH1A1ATM
SCHEMBL3234925 0.77 MAPK1 (1.00) MAPK1CYP1A2CYP3A4GAAMAPT
SCHEMBL384965 0.76 STING1 (0.63) STING1MEN1KMT2A
SCHEMBL22234314 0.76 STING1 (0.48) GAAMAPTSTING1ALDH1A1ATM
SCHEMBL1596152 0.75 STING1 (0.61) CYP1A2STING1MEN1CYP2C19KMT2A

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
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
CN-101605758-A Methods of treating hepatitis C PTC THERAPEUTICS INC (US) 2009-12-16 CN disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS MAPK1 4248/4885CYP1A2 3179/4885CYP3A4 3086/4885
US-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 MAPK1 4/4885CYP1A2 1743/4885CYP3A4 2235/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MAPK1 4248/4885CYP1A2 3179/4885CYP3A4 3086/4885

“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.