SCHEMBL2391096

SCHEMBL2391096

CCOC(=O)[C@H]1C[C@H](OC(C)=O)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
KMT2A Q03164 5/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 3/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MMP2 P08253 2/20 0.44
ANPEP P15144 1/20 0.44
POLB P06746 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9587662 1.00 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL2390146 1.00 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL1571210 1.00 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL1568318 0.86 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL1568322 0.86 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL1568324 0.86 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL9685718 0.86 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL4590383 0.86 POLB (0.52) ALDH1A1KMT2ALMNAL3MBTL1NPSR1
SCHEMBL9685695 0.83 ALDH1A1 (0.67) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL7070248 0.83 ALDH1A1 (0.67) ALDH1A1KMT2ALMNATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-7435831-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US disclosed
US-7435830-B2 Bicyclic and bridged nitrogen heterocycles CHEMOCENTRYX, INC. (US) 2008-10-14 US 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-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL1B, IL1A, PTGER1 ALDH1A1 960/4885KMT2A 4452/4885LMNA 2057/4885

“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.