SCHEMBL1976973

SCHEMBL1976973

O=S(=O)(Nc1ccccc1)C(F)(F)F.[Pd]

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.60
CA2 P00918 6/20 0.58
PTPN11 Q06124 1/20 0.58
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PTGS1 P23219 3/20 0.53
PTGS2 P35354 3/20 0.53
CA1 P00915 3/20 0.51
KEAP1 Q14145 2/20 0.50
IL1RN P18510 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.43
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42

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
SCHEMBL216185 0.98 PTPN1 (0.62) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL28665290 0.96 PTPN1 (0.60) PTPN1CA2PTPN11MAPK1SMN1; SMN2
Trifluoromethanesulfonamide SCHEMBL4288876 0.90 CA2 (0.62) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL19042259 0.85 CA2 (0.49) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL17266478 0.84 PTPN1 (0.49) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL18048059 0.82 PTPN1 (0.51) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL6001500 0.81 PTPN1 (0.86) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL28027003 0.81 PTPN1 (0.54) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL14033372 0.80 LMNA (0.59) PTPN1CA2PTPN11MAPK1SMN1; SMN2
SCHEMBL4972432 0.79 PTGS1 (0.70) CA2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404693-B2 Substituted piperidine compounds and methods of their use ADOLOR CORPORATION (US) 2013-03-26 US disclosed
US-20110144108-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-06-16 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-20110144108-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND METHODS OF THEIR USE OPRM1, OPRK1, OPRD1 PTPN1 3263/4885CA2 3989/4885PTPN11 3465/4885

“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.