SCHEMBL1103987

SCHEMBL1103987

CS(=O)(=O)N1CCC(c2ccc(OC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.56
MAPT P10636 3/20 0.48
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.47
SLC18A3 Q16572 1/20 0.46
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
GAA P10253 1/20 0.42
MGLL Q99685 3/20 0.42
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 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
SCHEMBL11957021 0.80 FAAH (0.61) FAAHHTTSMN1; SMN2LMNASLC18A3
SCHEMBL6095340 0.76 SMN1; SMN2 (0.54) MAPTHTTRECQLSMN1; SMN2LMNA
SCHEMBL1103992 0.74 HTT (0.57) MAPTHTTSMN1; SMN2KMT2ACYP2D6
SCHEMBL3650778 0.74 FAAH (0.50) FAAHHTTRECQLSMN1; SMN2KMT2A
SCHEMBL27935616 0.73 SIGMAR1 (0.67) MAPTHTTRECQLSMN1; SMN2LMNA
SCHEMBL26374 0.73 GAA (0.65) MAPTSMN1; SMN2KMT2AGAAMGLL
SCHEMBL25316484 0.73 HTT (0.43) HTTRECQLSMN1; SMN2KMT2ACYP2D6
SCHEMBL7529885 0.72 SMN1; SMN2 (0.52) FAAHMAPTHTTRECQLSMN1; SMN2
SCHEMBL4184580 0.72 ALDH1A1 (0.58) FAAHMAPTHTTLMNASLC18A3
Hydrochloric Acid SCHEMBL7895043 0.72 GAA (0.62) MAPTSMN1; SMN2KMT2AGAAMGLL

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-8153635-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-04-10 US disclosed
US-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-10-29 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-20090270409-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 FAAH 744/4885MAPT 3590/4885HTT 1158/4885

“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.