SCHEMBL3398560

SCHEMBL3398560

CC[C@H](c1ccccc1)S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.53
LMNA P02545 5/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GMNN O75496 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PMP22 Q01453 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CCR5 P51681 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.40
PSIP1 O75475 1/20 0.40
MME P08473 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
SCHEMBL3398553 1.00 SRC (0.53) SRCLMNAALDH1A1POLBKMT2A
SCHEMBL249115 1.00 SRC (0.53) SRCLMNAALDH1A1POLBKMT2A
SCHEMBL3141262 0.84 SRC (0.50) SRCLMNAALDH1A1POLBKMT2A
SCHEMBL27732531 0.83 SRC (0.53) SRCLMNAALDH1A1CYP2D6CYP2C19
SCHEMBL1663424 0.83 SRC (0.53) SRCLMNAALDH1A1CYP2D6CYP2C19
SCHEMBL776396 0.83 LMNA (0.46) SRCLMNAALDH1A1POLBKMT2A
SCHEMBL14955046 0.83 SRC (0.57) SRCLMNAALDH1A1POLBKMT2A
SCHEMBL14955287 0.83 SRC (0.57) SRCLMNAALDH1A1POLBKMT2A
SCHEMBL355147 0.82 SRC (0.44) SRCLMNAALDH1A1POLBKMT2A
SCHEMBL5357827 0.82 SRC (0.34) SRC

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
CN-101910188-B Process for producing optically active amines SUMITOMO CHEMICAL CO 2013-05-08 CN disclosed
EP-2246356-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL CO (JP) 2013-04-03 EP disclosed
US-20110054171-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-03 US disclosed
CN-101910188-A Process for producing optically active amines SUMITOMO CHEMICAL CO 2010-12-08 CN disclosed
EP-2246356-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINES Sumitomo Chemical Company, Limited (JP) 2010-11-03 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-20110054171-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINES TYR, ARSA, ODC1 SRC 3642/4885LMNA 3374/4885ALDH1A1 98/4885

“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.