SCHEMBL3796207

SCHEMBL3796207

CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)SC1=S

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.80
TNFRSF1A P19438 2/20 0.69
STAT3 P40763 1/20 0.68
SYK P43405 1/20 0.68
MAP3K5 Q99683 7/20 0.63
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
POLB P06746 3/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
PTP4A3 O75365 1/20 0.61
GRK2 P25098 1/20 0.61
DNMT1 P26358 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
EIF4E P06730 1/20 0.58
EIF4G1 Q04637 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
THRB P10828 1/20 0.58
RECQL P46063 1/20 0.58

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
SCHEMBL3796210 1.00 ENPP2 (0.80) ENPP2TNFRSF1ASTAT3SYKMAP3K5
SCHEMBL29987110 1.00 ENPP2 (0.80) ENPP2TNFRSF1ASTAT3SYKMAP3K5
SCHEMBL4402019 0.89 ENPP2 (1.00) ENPP2SYKMAP3K5MEN1KMT2A
SCHEMBL4398637 0.89 ENPP2 (1.00) ENPP2SYKMAP3K5MEN1KMT2A
SCHEMBL3134450 0.87 TNFRSF1A (0.74) ENPP2TNFRSF1ASTAT3SYKMAP3K5
SCHEMBL3134440 0.87 TNFRSF1A (0.74) ENPP2TNFRSF1ASTAT3SYKMAP3K5
SCHEMBL3134456 0.87 TNFRSF1A (0.74) ENPP2TNFRSF1ASTAT3SYKMAP3K5
SCHEMBL3135786 0.84 TNFRSF1A (0.73) ENPP2TNFRSF1ASTAT3SYKMAP3K5
SCHEMBL3136515 0.84 MAP3K5 (0.76) ENPP2TNFRSF1ASTAT3SYKMAP3K5
SCHEMBL3136503 0.84 MAP3K5 (0.76) ENPP2TNFRSF1ASTAT3SYKMAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296270-A1 STAT3 Inhibitors BAYLOR COLLEGE OF MEDICINE (US) 2014-10-02 US claimed
US-20100041685-A1 STAT3 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-18 US 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-20100041685-A1 STAT3 INHIBITORS STAT3, STAT1, JAK2 ENPP2 2684/4885TNFRSF1A 1007/4885STAT3 1/4885
US-20140296270-A1 STAT3 Inhibitors STAT3, STAT1, JAK2 ENPP2 2684/4885TNFRSF1A 1007/4885STAT3 1/4885

“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.