SCHEMBL4871322

SCHEMBL4871322

CON(C)C(=O)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LOX P28300 1/20 0.43
LMNA P02545 1/20 0.42
HSD11B1 P28845 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MLYCD O95822 1/20 0.40
AKR1C3 P42330 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.39

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
SCHEMBL939765 0.86 CA2 (0.47) LOXF2PRSS1PRSS2PRSS3
SCHEMBL8305896 0.83 LOX (0.53) SMN1; SMN2ALDH1A1GAAHSD17B10LOX
SCHEMBL15281239 0.83 KMT2A (0.50) LMNAMEN1KMT2AMLYCD
SCHEMBL7015512 0.81 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HSD17B10LMNAMEN1
SCHEMBL4999299 0.80 KMT2A (0.56) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL31426393 0.80 KMT2A (0.56) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL5253336 0.79 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1GAAHSD17B10LMNA
SCHEMBL16214051 0.78 MEN1 (0.46) SMN1; SMN2ALDH1A1LOXMEN1KMT2A
SCHEMBL7506870 0.77 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1GAAHSD17B10LMNA
SCHEMBL2651155 0.77 POLB (0.61) SMN1; SMN2ALDH1A1GAAHSD17B10LOX

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 SMN1; SMN2 3771/4885ALDH1A1 927/4885GAA 1570/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SMN1; SMN2 966/4885ALDH1A1 930/4885GAA 4431/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 SMN1; SMN2 3587/4885ALDH1A1 260/4885GAA 2111/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SMN1; SMN2 966/4885ALDH1A1 930/4885GAA 4431/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB SMN1; SMN2 1570/4885ALDH1A1 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.