SCHEMBL5523447

SCHEMBL5523447

CS(=O)(=O)OC[C@H]1CC[C@@H](OCCOc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
HCRTR2 O43614 1/20 0.36
BUB1 O43683 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
KCNA3 P22001 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5523451 1.00 PKM (0.37) PKMHPGDMEN1HTTKMT2A
SCHEMBL30324809 0.80 OPRM1 (0.45) HCRTR2CARM1PRMT6
SCHEMBL29986014 0.76 KCNA3 (0.50) PKMHPGDADRB2ADRB1ADRB3
SCHEMBL5514782 0.76 ALDH1A1 (0.47) PKMADRB2ADRB1ADRB3KCNA3
SCHEMBL5521307 0.76 TAAR1 (0.47) PKMADRB2ADRB1ADRB3KCNA3
SCHEMBL5521304 0.76 TAAR1 (0.47) PKMADRB2ADRB1ADRB3KCNA3
SCHEMBL5514779 0.76 ALDH1A1 (0.47) PKMADRB2ADRB1ADRB3KCNA3
SCHEMBL8335852 0.75 HPGD (0.51) PKMHPGDADRB2ADRB1ADRB3
SCHEMBL7976554 0.75 KCNA3 (0.52) PKMMEN1HTTKMT2AKCNA3
Ethylene SCHEMBL27549601 0.74 HPGD (0.47) PKMHPGDADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A PKM 2674/4885HPGD 604/4885MEN1 3887/4885

“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.