SCHEMBL3772935

SCHEMBL3772935

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
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
SCHEMBL3778704 0.89 LMNA (0.38) TSHRGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL3348846 0.89 TSHR (0.36) TSHRGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL3779506 0.88 TSHR (0.41) TSHRGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL3780994 0.88 TSHR (0.42) TSHRGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL3772138 0.88 ALDH1A1 (0.41) TSHRGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL3777859 0.85 PTGS1 (0.36) GAASMN1; SMN2ALDH1A1L3MBTL1APOBEC3A
SCHEMBL2570555 0.84 ALDH1A1 (0.35) TSHRGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL3777589 0.84 TSHR (0.40) TSHRGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL3772034 0.83 GAA (0.39) TSHRGAAHTTSMN1; SMN2ALDH1A1
SCHEMBL3351461 0.81 ALDH1A1 (0.37) TSHRGAAHTTSMN1; 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 73/4885GAA 4744/4885HTT 3597/4885

“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.