SCHEMBL3034332

SCHEMBL3034332

Cc1cc(N(C)C)ccc1-c1ccc(C=C2SC(=S)N(Nc3ccccc3C(=O)O)C2=O)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.51
▸ POLB P06746 13/20 0.47
▸ MEN1 O00255 10/20 0.47
▸ KMT2A Q03164 10/20 0.47
▸ MAPT P10636 7/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ TDP1 Q9NUW8 5/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ NSD2 O96028 2/20 0.47
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ SYK P43405 1/20 0.46
▸ PTP4A3 O75365 1/20 0.45
▸ CTDSP1 Q9GZU7 3/20 0.44
▸ GRK2 P25098 1/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ PKM P14618 2/20 0.43

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
SCHEMBL3034330 1.00 ENPP2 (0.51) ENPP2POLBMEN1KMT2AMAPT
SCHEMBL3034327 0.90 POLB (0.56) ENPP2POLBMEN1KMT2AMAPT
SCHEMBL3034326 0.90 POLB (0.56) ENPP2POLBMEN1KMT2AMAPT
SCHEMBL3040764 0.89 ENPP2 (0.52) ENPP2POLBMEN1KMT2AMAPT
SCHEMBL3023465 0.89 ENPP2 (0.54) ENPP2POLBMEN1KMT2AMAPT
SCHEMBL3040763 0.89 ENPP2 (0.52) ENPP2POLBMEN1KMT2AMAPT
SCHEMBL3023467 0.89 ENPP2 (0.54) ENPP2POLBMEN1KMT2AMAPT
SCHEMBL3029935 0.88 ENPP2 (0.57) ENPP2POLBMEN1KMT2AMAPT
SCHEMBL3029933 0.88 ENPP2 (0.57) ENPP2POLBMEN1KMT2AMAPT
SCHEMBL3029866 0.88 POLB (0.52) ENPP2POLBMEN1KMT2AMAPT

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 1537/4885POLB 1558/4885MEN1 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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