SCHEMBL971950

SCHEMBL971950

C[C@@](N)(Cc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
MMP1 P03956 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
CASR P41180 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
RECQL P46063 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA5A P35218 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL1666735 0.84 SLC6A2 (0.50) SLC6A2TAAR1SMN1; SMN2HIF1ALMNA
SCHEMBL6093963 0.84 SLC6A2 (0.50) SLC6A2TAAR1SMN1; SMN2HIF1ALMNA
SCHEMBL7284495 0.76 PPARG (0.54) SLC6A2TAAR1SMN1; SMN2HIF1ALMNA
SCHEMBL17844847 0.76 CA12 (0.43) SLC6A2TAAR1SMN1; SMN2HIF1AMMP1
SCHEMBL9150107 0.75 SLC6A2 (0.61) SLC6A2TAAR1SMN1; SMN2HIF1ALMNA
SCHEMBL18605874 0.75 SLC6A2 (0.61) SLC6A2TAAR1SMN1; SMN2HIF1ALMNA
Phentermine SCHEMBL28815884 0.74 SLC6A2 (0.73) SLC6A2TAAR1SMN1; SMN2HIF1ALMNA
Hydrochloric Acid SCHEMBL7288001 0.73 SLC6A2 (0.53) SLC6A2TAAR1SMN1; SMN2HIF1ALMNA
Phentermine SCHEMBL28338903 0.72 SLC6A2 (0.76) SLC6A2TAAR1SMN1; SMN2HIF1ALMNA
Hydrochloric Acid SCHEMBL7293805 0.72 SLC6A2 (0.57) SLC6A2TAAR1SMN1; SMN2HIF1ALMNA

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-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2011-01-13 US disclosed
US-7659253-B2 Abuse-resistant amphetamine prodrugs SHIRE LLC (US) 2010-02-09 US disclosed
US-20090234002-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS SHIRE LLC (US) 2009-09-17 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-20090234002-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 SLC6A2 7/4885TAAR1 161/4885SMN1; SMN2 568/4885
US-20110009669-A1 ABUSE-RESISTANT AMPHETAMINE PRODRUGS COMT, CYP3A5, CYP2D6 SLC6A2 7/4885TAAR1 161/4885SMN1; SMN2 568/4885

“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.