SCHEMBL3040354

SCHEMBL3040354

O=C(O)c1cccc(NN2C(=O)/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 3/20 0.61
▸ APEX1 P27695 1/20 0.60
▸ PIK3CG P48736 2/20 0.51
▸ RXRA P19793 1/20 0.50
▸ LCK P06239 1/20 0.49
▸ MAPT P10636 2/20 0.49
▸ CFTR P13569 1/20 0.49
▸ STAT3 P40763 1/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ POLB P06746 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GSK3A P49840 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
SCHEMBL3040356 1.00 MAP3K5 (0.61) MAP3K5APEX1PIK3CGRXRALCK
SCHEMBL3029691 0.93 MAP3K5 (0.62) MAP3K5APEX1PIK3CGRXRAMAPT
SCHEMBL3029688 0.93 MAP3K5 (0.62) MAP3K5APEX1PIK3CGRXRAMAPT
SCHEMBL3028998 0.85 MAP3K5 (0.59) MAP3K5APEX1RXRAMAPTCFTR
SCHEMBL3029002 0.85 MAP3K5 (0.59) MAP3K5APEX1RXRAMAPTCFTR
SCHEMBL3036977 0.85 APEX1 (0.59) MAP3K5APEX1PIK3CGMAPTSTAT3
SCHEMBL3036975 0.85 APEX1 (0.59) MAP3K5APEX1PIK3CGMAPTSTAT3
SCHEMBL5119828 0.82 CFTR (0.70) MAP3K5APEX1PIK3CGLCKMAPT
SCHEMBL2215801 0.82 CFTR (0.70) MAP3K5APEX1PIK3CGLCKMAPT
SCHEMBL2215803 0.82 CFTR (0.70) MAP3K5APEX1PIK3CGLCKMAPT

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 3450/4885APEX1 2575/4885PIK3CG 3852/4885

“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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