SCHEMBL4867203

SCHEMBL4867203

CCOC(=O)C(=O)C(Br)Cc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.36
GRM2 Q14416 2/20 0.35
GRM3 Q14832 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
ADRA1D P25100 1/20 0.35
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 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
SCHEMBL31635690 0.81 PNMT (0.45) ALDH1A1GAASMN1; SMN2LMNAHPGD
SCHEMBL2555896 0.80 MMP8 (0.50) ALDH1A1HSD17B10SMN1; SMN2TP53LMNA
SCHEMBL3932571 0.79 MAPT (0.40) ALDH1A1HSD17B10SMN1; SMN2TP53LMNA
SCHEMBL31753168 0.78 SLC7A5 (0.42) NR1H2ALDH1A1GAAHSD17B10SMN1; SMN2
SCHEMBL533963 0.76 MMP8 (0.45) NR1H2ALDH1A1GAAHSD17B10SMN1; SMN2
SCHEMBL4875689 0.75 ALDH1A1 (0.43) NR1H2ALDH1A1GAAHSD17B10SMN1; SMN2
SCHEMBL9026247 0.74 PTGS1 (0.45) NR1H2ALDH1A1GAAHSD17B10SMN1; SMN2
SCHEMBL10129707 0.72 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10SMN1; SMN2LMNA
SCHEMBL4863847 0.72 KYAT1 (0.40) ALDH1A1LMNA
SCHEMBL11761820 0.71 POLB (0.52) ALDH1A1GAASMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 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 (5 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB NR1H2 2642/4885ALDH1A1 927/4885GAA 1570/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 NR1H2 1262/4885ALDH1A1 930/4885GAA 4431/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 NR1H2 2312/4885ALDH1A1 260/4885GAA 2111/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 NR1H2 1262/4885ALDH1A1 930/4885GAA 4431/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB NR1H2 1073/4885ALDH1A1 1690/4885GAA 3775/4885

“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.