SCHEMBL2201978

SCHEMBL2201978

COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.43
ITGAV P06756 9/20 0.41
MMP2 P08253 3/20 0.38
MMP13 P45452 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C19 P33261 1/20 0.38
ITGB3 P05106 4/20 0.36
PSMB8 P28062 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL6440140 0.85 AVPR1B (0.48)
SCHEMBL2204267 0.84 BMP1 (0.41) BMP1ITGAVITGB3PSMB8MMP1
SCHEMBL2204271 0.84 BMP1 (0.41) BMP1ITGAVITGB3PSMB8MMP1
SCHEMBL6440365 0.81 MMP2 (0.55) MMP2MMP13MMP1MMP3MMP9
SCHEMBL4172106 0.76 TDP1 (0.54) MMP2MMP13ALDH1A1CYP2C19PSMB8
SCHEMBL14047889 0.75 BMP1 (0.36) BMP1NR3C1PGRNR3C2
SCHEMBL8716427 0.74 SLC1A3 (0.51) MMP2MMP13ALDH1A1CYP2C19ITGB3
SCHEMBL7448661 0.73 ITGAV (0.59) ITGAVALDH1A1CYP2C19ITGB3
SCHEMBL6394294 0.73 ITGAV (0.45) BMP1ITGAVMMP2ALDH1A1MMP9
SCHEMBL2204277 0.70 BMP1 (0.46) BMP1ITGAVPSMB8NR3C1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN BMP1 1617/4885ITGAV 1819/4885MMP2 3510/4885

“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.