SCHEMBL751328

SCHEMBL751328

CCOC(=O)COc1cc(S(=O)(=O)Cl)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 1/20 0.53
CASP3 P42574 1/20 0.51
CASP7 P55210 1/20 0.51
CASP9 P55211 1/20 0.51
HPGD P15428 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 1/20 0.43
ATM Q13315 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
NTSR1 P30989 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL749724 0.85 GAA (0.51) NPSR1GAACASP3CASP7CASP9
SCHEMBL9092236 0.83 ALDH1A1 (0.53) NPSR1GAAHPGDPOLBSMN1; SMN2
SCHEMBL942807 0.83 TSHR (0.54) NPSR1GAAHPGDPOLBSMN1; SMN2
SCHEMBL3270052 0.82 NPSR1 (0.52) NPSR1GAACASP3CASP7CASP9
SCHEMBL3276214 0.82 ALDH1A1 (0.57) NPSR1GAAHPGDSMN1; SMN2ALDH1A1
SCHEMBL2346864 0.79 GAA (0.77) NPSR1GAAHPGDPOLBSMN1; SMN2
SCHEMBL2872198 0.79 NPSR1 (0.49) NPSR1GAAHPGDPOLBSMN1; SMN2
SCHEMBL5708164 0.77 GAA (0.69) NPSR1GAAHPGDPOLBSMN1; SMN2
SCHEMBL751534 0.76 ALDH1A1 (0.56) NPSR1HPGDPOLBALDH1A1MAPT
SCHEMBL5760942 0.76 KMT2A (0.45) NPSR1GAAHPGDALDH1A1LMNA

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-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 NPSR1 802/4885GAA 161/4885CASP3 3993/4885

“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.