SCHEMBL3249918

SCHEMBL3249918

ON(C=S)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.42
AOC3 Q16853 1/20 0.41

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
SCHEMBL2500291 0.77 TSHR (0.44) ALDH1A1TSHRCA12CA9
SCHEMBL8335334 0.76 ALDH1A1 (0.48) MGLLALDH1A1TSHRCA12CA1
SCHEMBL3237296 0.73 ALDH1A1 (0.44) MGLLALDH1A1TSHRCA12CA1
SCHEMBL3239638 0.73 TSHR (0.56) MGLLALDH1A1TSHRCA12CA1
SCHEMBL3251335 0.73 AOC3 (0.52) MGLLALDH1A1TSHRCA12CA1
SCHEMBL39645 0.72 CYP1A2 (0.55) MGLLALDH1A1TSHRCA12CA1
SCHEMBL640126 0.72 ALDH1A1 (0.55) MGLLALDH1A1TSHRCA12CA1
SCHEMBL3250901 0.71 TSHR (0.45) MGLLALDH1A1TSHRCA12CA1
SCHEMBL3245212 0.71 TSPO (0.47) ALDH1A1TSHRCA12CA9
SCHEMBL3068684 0.71 MAPT (0.41) ALDH1A1TSHRGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 MGLL 1228/4885ALDH1A1 874/4885TSHR 2306/4885

“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.