SCHEMBL2762091

SCHEMBL2762091

O=S(=O)(OCCI)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 2/20 0.44
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
PSIP1 O75475 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
PLA2G7 Q13093 1/20 0.38

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
SCHEMBL3449015 0.87 PARL (0.50) PARLHTR6ALDH1A1TDP1PSIP1
SCHEMBL8154425 0.85 PARL (0.46) PARLHTR6ALDH1A1TDP1PSIP1
SCHEMBL5945104 0.83 PARL (0.47) PARLHTR6ALDH1A1TDP1PSIP1
SCHEMBL14778910 0.83 PARL (0.47) PARLHTR6ALDH1A1TDP1PSIP1
SCHEMBL4685853 0.82 PARL (0.43) PARLHTR6ALDH1A1TDP1PSIP1
SCHEMBL14779590 0.81 PARL (0.46) PARLHTR6ALDH1A1TDP1PSIP1
SCHEMBL14779172 0.81 PARL (0.46) PARLHTR6ALDH1A1TDP1PSIP1
SCHEMBL30011527 0.81 ALDH1A1 (0.50) PARLHTR6ALDH1A1TDP1PSIP1
SCHEMBL8856851 0.80 GAA (0.45) ALDH1A1HPGDKMT2ACA1CA2
SCHEMBL778545 0.79 PSIP1 (0.50) PARLHTR6ALDH1A1TDP1PSIP1

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-7842818-B2 Process for preparation of tetrasubstituted 5-azaspiro[2.4]- heptane derivatives and optically active intermediates thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-10-29 US disclosed
EP-1930321-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP 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-20090270637-A1 PROCESS FOR PREPARATION OF TETRASUBSTITUTED 5-AZASPIRO[2.4]- HEPTANE DERIVATIVES AND OPTICALLY ACTIVE INTERMEDIATES THEREOF DHPS, SQLE, NQO2 PARL 3604/4885HTR6 952/4885ALDH1A1 515/4885

“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.