SCHEMBL3041682

SCHEMBL3041682

Cc1ccc(-c2ccc(/C=C3/SC(=S)N(Nc4ccccc4C(=O)O)C3=O)o2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 4/20 0.51
▸ POLB P06746 8/20 0.51
▸ MEN1 O00255 8/20 0.51
▸ KMT2A Q03164 8/20 0.51
▸ MAPT P10636 6/20 0.51
▸ TDP1 Q9NUW8 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ NSD2 O96028 1/20 0.51
▸ ENPP2 Q13822 1/20 0.50
▸ SYK P43405 1/20 0.47
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CTDSP1 Q9GZU7 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ APEX1 P27695 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ BLM P54132 1/20 0.45
▸ PTP4A3 O75365 1/20 0.44

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
SCHEMBL3041686 1.00 MAP3K5 (0.51) MAP3K5POLBMEN1KMT2AMAPT
SCHEMBL3029824 0.92 MAP3K5 (0.52) MAP3K5POLBMEN1KMT2AMAPT
SCHEMBL3034326 0.92 POLB (0.56) MAP3K5POLBMEN1KMT2AMAPT
SCHEMBL3034327 0.92 POLB (0.56) MAP3K5POLBMEN1KMT2AMAPT
SCHEMBL3029823 0.92 MAP3K5 (0.52) MAP3K5POLBMEN1KMT2AMAPT
SCHEMBL3028677 0.90 MAP3K5 (0.62) MAP3K5POLBMEN1KMT2AMAPT
SCHEMBL3028679 0.90 MAP3K5 (0.62) MAP3K5POLBMEN1KMT2AMAPT
SCHEMBL3040763 0.89 ENPP2 (0.52) MAP3K5POLBMEN1KMT2AMAPT
SCHEMBL3040764 0.89 ENPP2 (0.52) MAP3K5POLBMEN1KMT2AMAPT
SCHEMBL3033514 0.86 POLB (0.54) MAP3K5POLBMEN1KMT2AMAPT

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 MAP3K5 3450/4885POLB 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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