SCHEMBL3038361

SCHEMBL3038361

COc1ccc(-c2ccc(C=C3SC(=S)N(Nc4ccccc4C(=O)O)C3=O)o2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.49
▸ PTPN22 Q9Y2R2 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MCL1 Q07820 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ RECQL P46063 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ PTPN7 P35236 1/20 0.49
▸ PTPN12 Q05209 1/20 0.49
▸ EIF4E P06730 1/20 0.49
▸ EIF4G1 Q04637 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ SYK P43405 1/20 0.45
▸ PSMD14 O00487 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CTDSP1 Q9GZU7 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
SCHEMBL3038357 1.00 POLB (0.49) POLBPTPN22ALDH1A1MAPTMEN1
SCHEMBL3044098 0.87 MAP3K5 (0.59) POLBPTPN22ALDH1A1MAPTMEN1
SCHEMBL3044096 0.87 MAP3K5 (0.59) POLBPTPN22ALDH1A1MAPTMEN1
SCHEMBL3039298 0.86 POLB (0.53) POLBPTPN22ALDH1A1MAPTMEN1
SCHEMBL3039300 0.86 POLB (0.53) POLBPTPN22ALDH1A1MAPTMEN1
SCHEMBL3043092 0.86 POLB (0.51) POLBPTPN22ALDH1A1MAPTMEN1
SCHEMBL3043090 0.86 POLB (0.51) POLBPTPN22ALDH1A1MAPTMEN1
SCHEMBL3039991 0.84 APEX1 (0.54) POLBPTPN22ALDH1A1MAPTMEN1
SCHEMBL3033514 0.84 POLB (0.54) POLBPTPN22ALDH1A1MAPTMEN1
SCHEMBL3039986 0.84 APEX1 (0.54) POLBPTPN22ALDH1A1MAPTMEN1

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 1558/4885PTPN22 4093/4885ALDH1A1 270/4885

“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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