SCHEMBL3034569

SCHEMBL3034569

O=C(O)c1cccc(N2C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)SC2=S)c1.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP22 Q9NRW4 6/20 0.62
MAP3K5 Q99683 6/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
RECQL P46063 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SAE1 Q9UBE0 1/20 0.61
UBA2 Q9UBT2 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
USP2 O75604 1/20 0.59
DNMT1 P26358 1/20 0.59
BLM P54132 1/20 0.59

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
SCHEMBL13220195 0.99 DUSP22 (0.63) DUSP22MAP3K5MEN1KMT2APOLB
SCHEMBL3042959 0.99 DUSP22 (0.63) DUSP22MAP3K5MEN1KMT2APOLB
SCHEMBL3034567 0.90 MAP3K5 (0.58) DUSP22MAP3K5MEN1KMT2APOLB
SCHEMBL6791360 0.89 MAP3K5 (0.66) DUSP22MAP3K5MEN1KMT2APOLB
SCHEMBL3894527 0.88 MAP3K5 (0.68) MAP3K5MEN1KMT2APOLBKDM4E
SCHEMBL3894534 0.88 MAP3K5 (0.68) MAP3K5MEN1KMT2APOLBKDM4E
SCHEMBL6788448 0.87 CFTR (0.61) DUSP22MAP3K5MEN1KMT2APOLB
SCHEMBL3037108 0.86 MAP3K5 (0.56) DUSP22MAP3K5MEN1KMT2APOLB
SCHEMBL3037107 0.86 MAP3K5 (0.56) DUSP22MAP3K5MEN1KMT2APOLB
SCHEMBL3030156 0.85 MAP3K5 (0.53) DUSP22MAP3K5MEN1KMT2APOLB

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 DUSP22 3192/4885MAP3K5 3450/4885MEN1 3585/4885

“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.