SCHEMBL3037512

SCHEMBL3037512

Cc1cccc(C)c1-c1ccc(/C=C2/SC(=S)N(Nc3ccccc3C(=O)O)C2=O)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 9/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ ENPP2 Q13822 1/20 0.50
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 7/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SYK P43405 1/20 0.47
▸ MEN1 O00255 9/20 0.45
▸ KMT2A Q03164 9/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ TDP1 Q9NUW8 4/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RECQL P46063 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ EIF4E P06730 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
SCHEMBL3037514 1.00 POLB (0.51) POLBSMN1; SMN2ENPP2ALDH1A1MAPT
SCHEMBL3036945 0.93 ENPP2 (0.49) POLBSMN1; SMN2ENPP2ALDH1A1MAPT
SCHEMBL3036947 0.93 ENPP2 (0.49) POLBSMN1; SMN2ENPP2ALDH1A1MAPT
SCHEMBL3029935 0.91 ENPP2 (0.57) POLBSMN1; SMN2ENPP2ALDH1A1MAPT
SCHEMBL3029933 0.91 ENPP2 (0.57) POLBSMN1; SMN2ENPP2ALDH1A1MAPT
SCHEMBL3033513 0.87 POLB (0.54) POLBENPP2ALDH1A1MAPTRAB9A
SCHEMBL3033514 0.87 POLB (0.54) POLBENPP2ALDH1A1MAPTRAB9A
SCHEMBL3034327 0.86 POLB (0.56) POLBSMN1; SMN2ENPP2ALDH1A1MAPT
SCHEMBL3034326 0.86 POLB (0.56) POLBSMN1; SMN2ENPP2ALDH1A1MAPT
SCHEMBL3039991 0.85 APEX1 (0.54) POLBENPP2ALDH1A1MAPTRAB9A

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 POLB 1558/4885SMN1; SMN2 4606/4885ENPP2 1537/4885

“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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