SCHEMBL3034470

SCHEMBL3034470

COc1ccc(-c2ccc(C=C3SC(=S)N(Nc4ccccc4C(=O)O)C3=O)o2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.49
▸ KMT2A Q03164 10/20 0.49
▸ POLB P06746 7/20 0.49
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ CTDSP1 Q9GZU7 2/20 0.49
▸ SYK P43405 1/20 0.49
▸ PSMD14 O00487 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ENPP2 Q13822 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ PTPN12 Q05209 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ PTPN22 Q9Y2R2 1/20 0.48
▸ MAP3K5 Q99683 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
SCHEMBL3034468 1.00 MEN1 (0.49) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3037089 0.92 ENPP2 (0.51) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3037088 0.92 ENPP2 (0.51) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3043092 0.91 POLB (0.51) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3043090 0.91 POLB (0.51) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3044096 0.88 MAP3K5 (0.59) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3044098 0.88 MAP3K5 (0.59) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3037127 0.85 ENPP2 (0.54) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3037124 0.85 ENPP2 (0.54) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL3034327 0.84 POLB (0.56) MEN1KMT2APOLBMAPTALDH1A1

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 MEN1 3585/4885KMT2A 3637/4885POLB 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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