SCHEMBL3037088

SCHEMBL3037088

COc1ccc(-c2ccc(/C=C3/SC(=S)N(Nc4ccccc4C(=O)O)C3=O)o2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.51
▸ SYK P43405 1/20 0.49
▸ MEN1 O00255 11/20 0.48
▸ KMT2A Q03164 11/20 0.48
▸ POLB P06746 11/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ MAPT P10636 6/20 0.48
▸ PKM P14618 2/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ PTPN12 Q05209 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ PTPN22 Q9Y2R2 1/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ CTDSP1 Q9GZU7 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ PSMD14 O00487 2/20 0.47
▸ HPGD P15428 2/20 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
SCHEMBL3037089 1.00 ENPP2 (0.51) ENPP2SYKMEN1KMT2APOLB
SCHEMBL3034470 0.92 MEN1 (0.49) ENPP2SYKMEN1KMT2APOLB
SCHEMBL3034468 0.92 MEN1 (0.49) ENPP2SYKMEN1KMT2APOLB
SCHEMBL3034326 0.90 POLB (0.56) ENPP2SYKMEN1KMT2APOLB
SCHEMBL3034327 0.90 POLB (0.56) ENPP2SYKMEN1KMT2APOLB
SCHEMBL3023467 0.89 ENPP2 (0.54) ENPP2SYKMEN1KMT2APOLB
SCHEMBL3040763 0.89 ENPP2 (0.52) ENPP2SYKMEN1KMT2APOLB
SCHEMBL3023465 0.89 ENPP2 (0.54) ENPP2SYKMEN1KMT2APOLB
SCHEMBL3040764 0.89 ENPP2 (0.52) ENPP2SYKMEN1KMT2APOLB
SCHEMBL3029933 0.88 ENPP2 (0.57) ENPP2SYKMEN1KMT2APOLB

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 ENPP2 1537/4885SYK 4202/4885MEN1 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.

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