SCHEMBL3033780

SCHEMBL3033780

O=C(O)c1ccc(NN2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.64
▸ HIF1AN Q9NWT6 1/20 0.62
▸ TDP1 Q9NUW8 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ MCL1 Q07820 1/20 0.58
▸ MAPT P10636 3/20 0.57
▸ PTPN12 Q05209 1/20 0.55
▸ PTPN22 Q9Y2R2 1/20 0.55
▸ INSR P06213 1/20 0.54
▸ IGF1R P08069 1/20 0.54
▸ APEX1 P27695 2/20 0.51
▸ KLKB1 P03952 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ ENPP2 Q13822 1/20 0.51
▸ MAP3K5 Q99683 1/20 0.51
▸ EIF4E P06730 1/20 0.50
▸ EIF4G1 Q04637 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL3033782 1.00 STAT3 (0.64) STAT3HIF1ANTDP1MEN1PKM
SCHEMBL3036975 0.89 APEX1 (0.59) STAT3HIF1ANTDP1MEN1PKM
SCHEMBL3036977 0.89 APEX1 (0.59) STAT3HIF1ANTDP1MEN1PKM
SCHEMBL3038869 0.85 MAP3K5 (0.65) STAT3TDP1MEN1KMT2AMCL1
SCHEMBL3038871 0.85 MAP3K5 (0.65) STAT3TDP1MEN1KMT2AMCL1
SCHEMBL20339302 0.84 STAT3 (0.74) STAT3HIF1ANTDP1MEN1PKM
SCHEMBL20339299 0.84 STAT3 (0.74) STAT3HIF1ANTDP1MEN1PKM
SCHEMBL7642310 0.83 PTPN12 (0.76) STAT3HIF1ANTDP1MEN1PKM
SCHEMBL6784443 0.83 PTPN12 (0.76) STAT3HIF1ANTDP1MEN1PKM
SCHEMBL13220182 0.82 MAPT (0.67) STAT3TDP1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 — — US disclosed
US-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS CORNELL RESEARCH FOUNDATION, INC. 2010-08-19 — — US disclosed
WO-2008005651-A2 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS DECODE CHEMISTRY, INC. (US) 2008-01-10 — — 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 (1 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-20100210577-A1 CYCLIC CARBOXYLIC ACID RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF TUBERCULOSIS RARG, SDHA, RARS2 STAT3 3058/4885HIF1AN 388/4885TDP1 4346/4885

“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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