SCHEMBL3023467

SCHEMBL3023467

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.54
▸ MEN1 O00255 7/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ POLB P06746 7/20 0.49
▸ MAP3K5 Q99683 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ SYK P43405 1/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ EIF4E P06730 1/20 0.47
▸ EIF4G1 Q04637 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL3023465 1.00 ENPP2 (0.54) ENPP2MEN1KMT2APOLBMAP3K5
SCHEMBL3034326 0.92 POLB (0.56) ENPP2MEN1KMT2APOLBMAP3K5
SCHEMBL3034327 0.92 POLB (0.56) ENPP2MEN1KMT2APOLBMAP3K5
SCHEMBL3040764 0.90 ENPP2 (0.52) ENPP2MEN1KMT2APOLBMAP3K5
SCHEMBL3040763 0.90 ENPP2 (0.52) ENPP2MEN1KMT2APOLBMAP3K5
SCHEMBL3029935 0.90 ENPP2 (0.57) ENPP2MEN1KMT2APOLBMAP3K5
SCHEMBL3029933 0.90 ENPP2 (0.57) ENPP2MEN1KMT2APOLBMAP3K5
SCHEMBL3037088 0.89 ENPP2 (0.51) ENPP2MEN1KMT2APOLBMAP3K5
SCHEMBL3034332 0.89 ENPP2 (0.51) ENPP2MEN1KMT2APOLBMAP3K5
SCHEMBL3034330 0.89 ENPP2 (0.51) ENPP2MEN1KMT2APOLBMAP3K5

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 2 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

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 1537/4885MEN1 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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