SCHEMBL3029002

SCHEMBL3029002

O=C(O)c1ccccc1NN1C(=O)C(=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 4/20 0.59
▸ CFTR P13569 1/20 0.51
▸ RXRA P19793 1/20 0.50
▸ APEX1 P27695 1/20 0.49
▸ MAPT P10636 3/20 0.49
▸ POLB P06746 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ EIF4E P06730 1/20 0.49
▸ EIF4G1 Q04637 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ LMNA P02545 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PLA2G1B P04054 1/20 0.47
▸ BLM P54132 1/20 0.47

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
SCHEMBL3028998 1.00 MAP3K5 (0.59) MAP3K5CFTRRXRAAPEX1MAPT
SCHEMBL3038738 0.91 CFTR (0.51) MAP3K5CFTRMAPTPOLBALDH1A1
SCHEMBL3038739 0.91 CFTR (0.51) MAP3K5CFTRMAPTPOLBALDH1A1
SCHEMBL3039986 0.90 APEX1 (0.54) MAP3K5APEX1MAPTPOLBALDH1A1
SCHEMBL3039991 0.90 APEX1 (0.54) MAP3K5APEX1MAPTPOLBALDH1A1
SCHEMBL3030691 0.86 MAPT (0.55) MAP3K5APEX1MAPTPOLBALDH1A1
SCHEMBL3029688 0.86 MAP3K5 (0.62) MAP3K5CFTRRXRAAPEX1MAPT
SCHEMBL3030688 0.86 MAPT (0.55) MAP3K5APEX1MAPTPOLBALDH1A1
SCHEMBL3029691 0.86 MAP3K5 (0.62) MAP3K5CFTRRXRAAPEX1MAPT
SCHEMBL3030749 0.85 POLB (0.49) MAP3K5APEX1MAPTPOLBALDH1A1

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 MAP3K5 3450/4885CFTR 275/4885RXRA 58/4885

“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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