SCHEMBL9103345

SCHEMBL9103345

CCCS(=O)(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MMP8 P22894 4/20 0.45
MMP12 P39900 4/20 0.45
MMP13 P45452 4/20 0.45
MMP1 P03956 1/20 0.45
MMP7 P09237 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL9103351 1.00 FKBP1A (0.47) FKBP1AALDH1A1KDM4EMMP8MMP12
SCHEMBL3429323 0.91 ALDH1A1 (0.43) FKBP1AALDH1A1KDM4EMMP8MMP12
SCHEMBL3429330 0.91 ALDH1A1 (0.43) FKBP1AALDH1A1KDM4EMMP8MMP12
SCHEMBL26212073 0.90 FKBP1A (0.51) FKBP1AALDH1A1MMP8MMP12MMP13
SCHEMBL3256301 0.89 FKBP1A (0.56) FKBP1AALDH1A1MMP8MMP12MMP13
SCHEMBL3256303 0.89 FKBP1A (0.56) FKBP1AALDH1A1MMP8MMP12MMP13
SCHEMBL7305308 0.87 POLB (0.48) ALDH1A1KDM4EMMP8MMP12MMP13
SCHEMBL6830973 0.87 FKBP1A (0.58) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL6830972 0.87 FKBP1A (0.58) FKBP1AMMP8MMP12MMP13MMP1
SCHEMBL6831371 0.83 FKBP1A (0.54) FKBP1AALDH1A1MMP8MMP12MMP13

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 FKBP1A 289/4885ALDH1A1 3279/4885KDM4E 2527/4885

“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.