SCHEMBL2799779

SCHEMBL2799779

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
UGT2B7 P16662 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PTGS1 P23219 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRB3 P13945 1/20 0.39
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1824549 1.00 MEN1 (0.42) MEN1KMT2AUGT2B7ALDH1A1PTGS1
SCHEMBL2795994 1.00 MEN1 (0.42) MEN1KMT2AUGT2B7ALDH1A1PTGS1
SCHEMBL2832592 0.82 PTGS1 (0.65) MEN1KMT2AALDH1A1PTGS1CYP2D6
SCHEMBL1825924 0.82 PTGS1 (0.53) MEN1KMT2AALDH1A1PTGS1CA1
SCHEMBL1826859 0.82 L3MBTL1 (0.39) MEN1KMT2AALDH1A1PTGS1CA1
SCHEMBL1825973 0.81 CA1 (0.39) ALDH1A1PTGS1CA1CA2CA9
SCHEMBL2053885 0.81 CA1 (0.39) MEN1KMT2AALDH1A1PTGS1CA1
SCHEMBL1824420 0.81 HDAC4 (0.49) ALDH1A1PTGS1CA1CA2CA9
SCHEMBL2025338 0.81 CA1 (0.39) MEN1KMT2AALDH1A1PTGS1CA1
SCHEMBL2800774 0.81 CA1 (0.39) MEN1KMT2AALDH1A1PTGS1CA1

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 MEN1 2309/4885KMT2A 1371/4885UGT2B7 304/4885
US-20100168229-A1 Process for the preparation of optically active compounds using transfer hydrogenation SPR, ACHE, QDPR MEN1 2459/4885KMT2A 1129/4885UGT2B7 388/4885

“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.