SCHEMBL2800641

SCHEMBL2800641

C[C@@H](OS(C)(=O)=O)c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.46
ADRA1A P35348 2/20 0.46
MIF P14174 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
HIF1A Q16665 4/20 0.42
LMNA P02545 4/20 0.42
KDM4E B2RXH2 2/20 0.42
OPRM1 P35372 2/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A3 Q01959 2/20 0.40
TSHR P16473 2/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRB3 P13945 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD1 P21728 1/20 0.40

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
SCHEMBL2795927 1.00 ADRB1 (0.46) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL2575001 1.00 ADRB1 (0.46) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL15687585 0.79 ALDH1A1 (0.42) SLC6A3GAASLC6A4ALDH1A1CYP3A4
SCHEMBL20483470 0.79 AOC3 (0.42) ADRB1HTR2BADRB2ADRB3SLC6A4
SCHEMBL858114 0.79 AOC3 (0.42) KDM4ESLC6A4CA12CA2CA9
SCHEMBL18272384 0.79 AOC3 (0.42) ADRB1HTR2BADRB2ADRB3SLC6A4
SCHEMBL16943864 0.79 AOC3 (0.42) ADRB1HTR2BADRB2ADRB3SLC6A4
SCHEMBL2053885 0.78 CA1 (0.39) DRD3ALDH1A1CA2CA9
SCHEMBL2025338 0.78 CA1 (0.39) DRD3ALDH1A1CA2CA9
SCHEMBL2800774 0.78 CA1 (0.39) DRD3ALDH1A1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096337-A1 Process for Preparation of Optically Active Compounds using Transfer Hydrogenation NOVARTIS AG (CH) 2013-04-18 US claimed
US-8415508-B2 Process for the preparation of optically active compounds using transfer hydrogenation NOVARTIS AG (CH) 2013-04-09 US claimed
US-20100168229-A1 Process for the preparation of optically active compounds using transfer hydrogenation NOVARTIS AG (CH) 2010-07-01 US claimed
US-8637713-B2 Process for preparation of optically active compounds using transfer hydrogenation NOVARTIS AG (CH) 2014-01-28 US disclosed
US-20130096337-A1 Process for Preparation of Optically Active Compounds using Transfer Hydrogenation NOVARTIS AG (CH) 2013-04-18 US disclosed
US-8415508-B2 Process for the preparation of optically active compounds using transfer hydrogenation NOVARTIS AG (CH) 2013-04-09 US disclosed
US-20100168229-A1 Process for the preparation of optically active compounds using transfer hydrogenation NOVARTIS AG (CH) 2010-07-01 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 (2 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-20130096337-A1 Process for Preparation of Optically Active Compounds using Transfer Hydrogenation SPR, ACHE, QDPR ADRB1 676/4885ADRA1A 787/4885MIF 3942/4885
US-20100168229-A1 Process for the preparation of optically active compounds using transfer hydrogenation SPR, ACHE, QDPR ADRB1 549/4885ADRA1A 723/4885MIF 4039/4885

“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.