SCHEMBL2210458

SCHEMBL2210458

CC(C)(C)C1CCC2(CC1)CC(C(=O)Nc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)c(F)c1)=NO2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.40
ENPP2 Q13822 2/20 0.33
KMT2A Q03164 1/20 0.33
ITGB3 P05106 6/20 0.32
ITGB1 P05556 6/20 0.32
ITGAV P06756 6/20 0.32
ITGA2B P08514 6/20 0.32
ITGA5 P08648 5/20 0.32
TRPV1 Q8NER1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HTR2B P41595 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2206230 0.85 GPR119 (0.44) GPR119TRPV1
SCHEMBL2204894 0.83 GPR119 (0.42) GPR119KMT2ATRPV1SMN1; SMN2MAPT
SCHEMBL2208732 0.83 GPR119 (0.46) GPR119ITGB3ITGB1ITGAVITGA2B
SCHEMBL4346000 0.81 GPR119 (0.41) GPR119ITGB3ITGB1ITGAVITGA2B
SCHEMBL2208053 0.80 GPR119 (0.46) GPR119ITGB3ITGB1ITGAVITGA2B
SCHEMBL2206338 0.77 HDAC3 (0.40) GPR119KMT2ATRPV1SMN1; SMN2MAPT
SCHEMBL2209037 0.76 GPR119 (0.43) GPR119ITGB3ITGB1ITGAVITGA2B
SCHEMBL2204827 0.72 EPHX2 (0.48) KMT2ATRPV1
SCHEMBL2205140 0.72 EPHX2 (0.48) KMT2ATRPV1
SCHEMBL2208558 0.72 EPHX2 (0.48) KMT2ATRPV1

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-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments REN, PKD1, PKD2 GPR119 3262/4885ENPP2 3012/4885KMT2A 3763/4885

“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.