SCHEMBL13209014

SCHEMBL13209014

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nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.41
KDM4C Q9H3R0 1/20 0.35
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.33
PIK3CD O00329 1/20 0.32
FPR2 P25090 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL13209006 1.00 TSHR (0.45) TSHRSMN1; SMN2NAALAD2KDM4CALDH1A1
SCHEMBL13209005 1.00 TSHR (0.45) TSHRSMN1; SMN2NAALAD2KDM4CALDH1A1
SCHEMBL12470124 0.83 SMN1; SMN2 (0.43) TSHRSMN1; SMN2NAALAD2KDM4CALDH1A1
SCHEMBL28788465 0.83 SMN1; SMN2 (0.40) TSHRSMN1; SMN2NAALAD2KDM4CALDH1A1
SCHEMBL10575336 0.81 FPR2 (0.49) TSHRSMN1; SMN2NAALAD2MAPTFPR2
SCHEMBL10575333 0.81 FPR2 (0.49) TSHRSMN1; SMN2NAALAD2MAPTFPR2
SCHEMBL1133141 0.80 NAALAD2 (0.39) TSHRSMN1; SMN2NAALAD2KDM4CALDH1A1
SCHEMBL1133243 0.80 NAALAD2 (0.39) TSHRSMN1; SMN2NAALAD2KDM4CALDH1A1
SCHEMBL1133246 0.80 NAALAD2 (0.39) TSHRSMN1; SMN2NAALAD2KDM4CALDH1A1
SCHEMBL5607969 0.79 NAALAD2 (0.47) TSHRSMN1; SMN2NAALAD2KDM4CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197934-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-METHYLCYSTEINE DERIVATIVE KANEKA CORPORATION (JP) 2010-08-05 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-20100197934-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALPHA-METHYLCYSTEINE DERIVATIVE AHCY, CTH, BHMT TSHR 4129/4885SMN1; SMN2 4472/4885NAALAD2 17/4885

“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.