SCHEMBL3044096

SCHEMBL3044096

COc1ccc(-c2ccc(/C=C3/SC(=S)N(Nc4ccccc4C(=O)O)C3=O)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 2/20 0.59
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ POLB P06746 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ PTPN22 Q9Y2R2 3/20 0.57
▸ MCL1 Q07820 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ PKM P14618 1/20 0.57
▸ PTPN7 P35236 1/20 0.57
▸ PTPN12 Q05209 1/20 0.57
▸ LMNA P02545 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ STAT3 P40763 1/20 0.50
▸ SYK P43405 1/20 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

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
SCHEMBL3044098 1.00 MAP3K5 (0.59) MAP3K5MEN1KMT2APOLBALDH1A1
SCHEMBL3037227 0.91 POLB (0.49) MAP3K5MEN1KMT2APOLBALDH1A1
SCHEMBL3037228 0.91 POLB (0.49) MAP3K5MEN1KMT2APOLBALDH1A1
SCHEMBL3033514 0.90 POLB (0.54) MAP3K5MEN1KMT2APOLBALDH1A1
SCHEMBL3033513 0.90 POLB (0.54) MAP3K5MEN1KMT2APOLBALDH1A1
SCHEMBL3041002 0.89 STAT3 (0.51) MAP3K5MEN1KMT2APOLBALDH1A1
SCHEMBL3041000 0.89 STAT3 (0.51) MAP3K5MEN1KMT2APOLBALDH1A1
SCHEMBL3036908 0.89 STAT3 (0.55) MAP3K5MEN1KMT2APOLBALDH1A1
SCHEMBL3036909 0.89 STAT3 (0.55) MAP3K5MEN1KMT2APOLBALDH1A1
SCHEMBL3039300 0.89 POLB (0.53) MAP3K5MEN1KMT2APOLBALDH1A1

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 3450/4885MEN1 3585/4885KMT2A 3637/4885

“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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