SCHEMBL3029691

SCHEMBL3029691

O=C(O)c1ccc(NN2C(=O)C(=Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 3/20 0.62
▸ APEX1 P27695 1/20 0.56
▸ MAPT P10636 2/20 0.53
▸ STAT3 P40763 1/20 0.53
▸ RXRA P19793 1/20 0.51
▸ NLRP3 Q96P20 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CFTR P13569 1/20 0.50
▸ PIK3CG P48736 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL3029688 1.00 MAP3K5 (0.62) MAP3K5APEX1MAPTSTAT3RXRA
SCHEMBL3040356 0.93 MAP3K5 (0.61) MAP3K5APEX1MAPTSTAT3RXRA
SCHEMBL3040354 0.93 MAP3K5 (0.61) MAP3K5APEX1MAPTSTAT3RXRA
SCHEMBL3029002 0.86 MAP3K5 (0.59) MAP3K5APEX1MAPTRXRAMEN1
SCHEMBL3028998 0.86 MAP3K5 (0.59) MAP3K5APEX1MAPTRXRAMEN1
SCHEMBL6789054 0.85 CFTR (0.64) MAP3K5APEX1STAT3RXRANLRP3
SCHEMBL7202246 0.85 CFTR (0.64) MAP3K5APEX1STAT3RXRANLRP3
SCHEMBL3033782 0.82 STAT3 (0.64) MAP3K5APEX1MAPTSTAT3MEN1
SCHEMBL3033780 0.82 STAT3 (0.64) MAP3K5APEX1MAPTSTAT3MEN1
SCHEMBL3897422 0.81 MAP3K5 (0.78) MAP3K5APEX1MAPTMEN1KMT2A

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-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

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 3450/4885APEX1 2575/4885MAPT 3973/4885

“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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