SCHEMBL3038871

SCHEMBL3038871

O=C(O)c1ccc(NN2C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)SC2=S)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 8/20 0.65
▸ MAPT P10636 5/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ USP2 O75604 1/20 0.60
▸ DNMT1 P26358 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ ENPP2 Q13822 1/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ RCE1 Q9Y256 1/20 0.53
▸ STAT3 P40763 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ INSR P06213 1/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ SYK P43405 1/20 0.51
▸ POLB P06746 2/20 0.50

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
SCHEMBL3038869 1.00 MAP3K5 (0.65) MAP3K5MAPTMEN1KMT2AUSP2
SCHEMBL3036197 0.90 MAP3K5 (0.62) MAP3K5MAPTMEN1KMT2AUSP2
SCHEMBL3036194 0.90 MAP3K5 (0.62) MAP3K5MAPTMEN1KMT2AUSP2
SCHEMBL3030165 0.85 MAP3K5 (0.62) MAP3K5MAPTMEN1KMT2AUSP2
SCHEMBL3030164 0.85 MAP3K5 (0.62) MAP3K5MAPTMEN1KMT2AUSP2
SCHEMBL3033780 0.85 STAT3 (0.64) MAP3K5MAPTMEN1KMT2AENPP2
SCHEMBL3033782 0.85 STAT3 (0.64) MAP3K5MAPTMEN1KMT2AENPP2
SCHEMBL6791360 0.84 MAP3K5 (0.66) MAP3K5MAPTMEN1KMT2AUSP2
SCHEMBL3905863 0.79 MAP3K5 (1.00) MAP3K5MAPTMEN1KMT2AUSP2
SCHEMBL3905865 0.79 MAP3K5 (1.00) MAP3K5MAPTMEN1KMT2AUSP2

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 MAP3K5 3450/4885MAPT 3973/4885MEN1 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.

Send feedback