Sugi Predict

Sugi Predict / Compounds / SCHEMBL124392

SCHEMBL124392

SCHEMBL124392

CC(=O)c1c(F)c(F)c(F)c(F)c1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTT P42858 3/20 0.39
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL823811 0.93 CES2 (0.42) CES2CES1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL19360080 0.93 CES2 (0.42) CES2CES1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL14470121 0.89 MEN1 (0.40) CES2CES1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4849062 0.84 ALDH1A1 (0.33) CES2CES1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL9608357 0.83 TAS1R3 (0.41) CES2CES1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL29042640 0.83 CYP3A4 (0.39) CES2CES1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL31403419 0.81 CYP3A4 (0.35) CES2CES1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL13125484 0.81 TAS1R3 (0.44) CES2CES1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL13710924 0.81 MEN1 (0.39) CES2CES1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL15180430 0.81 CES2 (0.34) CES2CES1SMN1; SMN2MAPK1ALDH1A1

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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 — — US disclosed
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
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 CES2 2211/4885CES1 3352/4885SMN1; SMN2 4522/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS CES2 1627/4885CES1 3488/4885SMN1; SMN2 4430/4885

“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.