SCHEMBL2575998

SCHEMBL2575998

O=C(c1noc2c1C(S(=O)(=O)c1ccccc1)NCC2)N1CCN(CC=Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 9/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 6/20 0.44
USP2 O75604 4/20 0.44
KMT2A Q03164 5/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 4/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4264552 0.77 HTR6 (0.35) MAPK1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL2575995 0.75 THRB (0.51) TSHRTHRBMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2575996 0.75 THRB (0.51) TSHRTHRBMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2591867 0.73 ALDH1A1 (0.49) TSHRTHRBMAPK1SMN1; SMN2ALDH1A1
SCHEMBL25279841 0.69 SMN1; SMN2 (0.77) TSHRTHRBSMN1; SMN2ALDH1A1MAPT
SCHEMBL2582303 0.68 ALDH1A1 (0.58) TSHRTHRBMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2582300 0.68 ALDH1A1 (0.58) TSHRTHRBMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4272861 0.66 ALDH1A1 (0.52) TSHRTHRBMAPK1SMN1; SMN2ALDH1A1
SCHEMBL5487379 0.65 LMNA (0.72) SMN1; SMN2ALDH1A1MAPTKDM4EGAA
SCHEMBL5487375 0.65 LMNA (0.72) SMN1; SMN2ALDH1A1MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US claimed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 TSHR 3849/4885THRB 4328/4885MAPK1 4431/4885

“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.