SCHEMBL17176299

SCHEMBL17176299

CCS(=O)(=O)n1cc(C(C)=O)c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.67
LMNA P02545 2/20 0.67
KAT2B Q92831 1/20 0.52
HTR3A P46098 1/20 0.52
CREBBP Q92793 2/20 0.51
KMT2A Q03164 2/20 0.48
RAB9A P51151 2/20 0.48
PLK1 P53350 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.48
NOD2 Q9HC29 1/20 0.48
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.46
SLC6A2 P23975 1/20 0.45
GALR3 O60755 1/20 0.45
HTR6 P50406 2/20 0.45
TNF P01375 1/20 0.44

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
SCHEMBL30394893 0.90 SMN1; SMN2 (0.62) SMN1; SMN2LMNAKAT2BHTR3ACREBBP
SCHEMBL4004827 0.85 LMNA (0.64) SMN1; SMN2LMNAKAT2BCREBBPKMT2A
SCHEMBL17176587 0.85 SMN1; SMN2 (0.60) SMN1; SMN2LMNAKAT2BHTR3ACREBBP
SCHEMBL17176310 0.84 SMN1; SMN2 (0.70) SMN1; SMN2LMNAKAT2BHTR3ACREBBP
SCHEMBL17170673 0.84 ALDH1A1 (0.57) SMN1; SMN2LMNAKAT2BHTR3AKMT2A
SCHEMBL17176486 0.80 LMNA (0.65) SMN1; SMN2LMNAKAT2BHTR3ACREBBP
SCHEMBL949716 0.80 LMNA (1.00) SMN1; SMN2LMNAKMT2APLK1MEN1
SCHEMBL30393652 0.80 LMNA (1.00) SMN1; SMN2LMNAKMT2APLK1MEN1
SCHEMBL17176289 0.80 SMN1; SMN2 (0.65) SMN1; SMN2LMNAKAT2BHTR3ACREBBP
SCHEMBL15902256 0.78 LMNA (0.46) SMN1; SMN2LMNAHTR3AKMT2APLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695195-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-04 US disclosed
US-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2016-06-30 US disclosed
US-9303045-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-05 US disclosed
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-15 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-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B SMN1; SMN2 984/4885LMNA 3559/4885KAT2B 3034/4885
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B SMN1; SMN2 984/4885LMNA 3559/4885KAT2B 3034/4885

“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.