SCHEMBL4336545

SCHEMBL4336545

CC(C)(C(=O)N[C@H](c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1)C(=O)N[C@H](c1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.43
UGT2B7 P16662 1/20 0.40
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
HIF1A Q16665 1/20 0.39
UTS2R Q9UKP6 3/20 0.39
ALDH1A1 P00352 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 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
SCHEMBL4337375 0.91 NPC1 (0.44) MMP9UGT2B7MEN1KMT2ACYP2D6
SCHEMBL4340505 0.89 NPC1 (0.46) MMP9MEN1KMT2ATSHRCYP1A2
SCHEMBL808976 0.86 MMP9 (0.47) MMP9UGT2B7GABRB1GABRB2MEN1
SCHEMBL4337540 0.86 MMP9 (0.50) MMP9UGT2B7MEN1KMT2ACYP2D6
SCHEMBL4344623 0.86 MMP9 (0.47) MMP9UGT2B7GABRB1GABRB2MEN1
SCHEMBL4337659 0.84 CNR1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4343597 0.84 UTS2R (0.43) MMP9MEN1KMT2ACYP2D6TSHR
SCHEMBL4344455 0.82 MMP9 (0.43) MMP9UGT2B7GABRB1GABRB2MEN1
SCHEMBL5464498 0.81 UTS2R (0.44) MMP9GABRB1GABRB2CYP2D6TSHR
SCHEMBL4332593 0.81 MEN1 (0.41) MMP9MEN1KMT2ACYP2D6ALDH1A1

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-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 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-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 MMP9 4140/4885UGT2B7 2124/4885GABRB1 3562/4885

“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.