SCHEMBL3780994

SCHEMBL3780994

COC(=O)COc1ccc(Cl)c2[nH]c(C)c(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.35
MAPK8 P45983 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL3778014 0.90 LMNA (0.38) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL3777589 0.90 TSHR (0.40) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL3772034 0.89 GAA (0.39) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL3788309 0.89 MAPT (0.41) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL3772920 0.88 TSHR (0.42) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL3772935 0.88 TSHR (0.41) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL3783224 0.82 SLC2A1 (0.43) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL3779431 0.79 PTGDR2 (0.37) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL3779072 0.79 LMNA (0.37) TSHRHTTGAASMN1; SMN2ALDH1A1
SCHEMBL3351438 0.78 TSHR (0.41) TSHRHTTGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 TSHR 73/4885HTT 3597/4885GAA 4744/4885

“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.