SCHEMBL124495

SCHEMBL124495

CCN1C(=O)CC(=O)N(CC(F)(F)F)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
CTRC Q99895 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BLM P54132 2/20 0.31
GMNN O75496 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL141302 0.83 F2 (0.63) F2ELANECTSGCTRCSMN1; SMN2
SCHEMBL124499 0.81 SMN1; SMN2 (0.33) F2ELANECTSGCTRCSMN1; SMN2
Hydrochloric Acid SCHEMBL8590266 0.81 F2 (0.60) F2ELANECTSGCTRCSMN1; SMN2
SCHEMBL21996053 0.81 F2 (0.60) F2ELANECTSGCTRCSMN1; SMN2
SCHEMBL3831786 0.81 F2 (0.60) F2ELANECTSGCTRCSMN1; SMN2
Hydrochloric Acid SCHEMBL8763377 0.79 F2 (0.57) F2ELANECTSGCTRCSMN1; SMN2
Methylamine SCHEMBL11674255 0.79 F2 (0.57) F2ELANECTSGCTRCSMN1; SMN2
Water SCHEMBL29185040 0.79 F2 (0.57) F2ELANECTSGCTRCSMN1; SMN2
Potassium Ion SCHEMBL28557553 0.79 F2 (0.57) F2ELANECTSGCTRCSMN1; SMN2
Acetic Acid SCHEMBL6771125 0.74 F2 (0.50) F2ELANECTSGCTRCSMN1; SMN2

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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 F2 705/4885ELANE 3816/4885CTSG 4748/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS F2 723/4885ELANE 3465/4885CTSG 4676/4885

“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.