SCHEMBL3028679

SCHEMBL3028679

O=C(O)c1ccccc1NN1C(=O)C(=Cc2ccc(-c3ccccc3F)o2)SC1=S

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 7/20 0.62
▸ ENPP2 Q13822 1/20 0.57
▸ POLB P06746 5/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PTP4A3 O75365 1/20 0.51
▸ SYK P43405 1/20 0.51
▸ PIK3CG P48736 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ DNMT1 P26358 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ GRK2 P25098 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 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
SCHEMBL3028677 1.00 MAP3K5 (0.62) MAP3K5ENPP2POLBMEN1KMT2A
SCHEMBL3029824 0.91 MAP3K5 (0.52) MAP3K5ENPP2POLBMEN1KMT2A
SCHEMBL3029823 0.91 MAP3K5 (0.52) MAP3K5ENPP2POLBMEN1KMT2A
SCHEMBL3037634 0.90 ENPP2 (0.58) MAP3K5ENPP2POLBMEN1KMT2A
SCHEMBL3037637 0.90 ENPP2 (0.58) MAP3K5ENPP2POLBMEN1KMT2A
SCHEMBL3030740 0.90 ENPP2 (0.60) MAP3K5ENPP2POLBMEN1KMT2A
SCHEMBL3030744 0.90 ENPP2 (0.60) MAP3K5ENPP2POLBMEN1KMT2A
SCHEMBL3041686 0.90 MAP3K5 (0.51) MAP3K5ENPP2POLBMEN1KMT2A
SCHEMBL3041682 0.90 MAP3K5 (0.51) MAP3K5ENPP2POLBMEN1KMT2A
SCHEMBL3029933 0.89 ENPP2 (0.57) MAP3K5ENPP2POLBMEN1KMT2A

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 3450/4885ENPP2 1537/4885POLB 1558/4885

“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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