SCHEMBL4096660

SCHEMBL4096660

CS(=O)(=O)C1CCCN(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
VNN1 O95497 3/20 0.41
BTD P43251 1/20 0.41
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
EPHX2 P34913 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
SCHEMBL27918028 0.95 VNN1 (0.38) LMNAALDH1A1VNN1BTDMAPK1
SCHEMBL20702398 0.89 TSHR (0.34) LMNAALDH1A1VNN1BTDMAPK1
SCHEMBL29136605 0.89 TSHR (0.34) LMNAALDH1A1VNN1BTDMAPK1
SCHEMBL3152387 0.89 TSHR (0.34) LMNAALDH1A1VNN1BTDMAPK1
SCHEMBL19551042 0.81 CA2 (0.36) LMNAALDH1A1MAPK1CA12CA1
SCHEMBL20166761 0.81 CA2 (0.36) LMNAALDH1A1MAPK1CA12CA1
SCHEMBL16239742 0.80 RBP4 (0.32) MAPK1TSHRSMN1; SMN2
SCHEMBL30793840 0.77 DPP4 (0.32) MAPK1TSHRSMN1; SMN2
SCHEMBL18322716 0.77 MEN1 (0.51) ALDH1A1MEN1MAPTKMT2ARECQL
SCHEMBL2075909 0.76 ALDH1A1 (0.61) LMNAALDH1A1MAPK1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
EP-1996545-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME Boehringer Ingelheim International GmbH (DE) 2008-12-03 EP disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 LMNA 3647/4885ALDH1A1 385/4885VNN1 966/4885

“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.