Sugi Predict

Sugi Predict / Compounds / SCHEMBL12413909

SCHEMBL12413909

SCHEMBL12413909

Cc1ccc([C@@H](O)[C@H](C=O)CF)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ FFAR1 O14842 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ LMNA P02545 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PKM P14618 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ ATM Q13315 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL13995149 0.75 CHRNA7 (0.41) STAT3CHRNA7ACHECYP2A6LMNA
SCHEMBL13995142 0.72 CHRNA7 (0.39) STAT3CHRNA7ACHECYP2A6LMNA
SCHEMBL13207809 0.72 CHRNA7 (0.39) STAT3CHRNA7ACHECYP2A6LMNA
SCHEMBL12683645 0.72 KDM4E (0.40) CHRNA7ACHELMNAALDH1A1ALOX5
SCHEMBL15248103 0.72 KDM4E (0.40) CHRNA7ACHELMNAALDH1A1ALOX5
SCHEMBL3693273 0.71 CHRNA7 (0.55) CHRNA7ACHELMNAALDH1A1ALOX5
SCHEMBL11938483 0.71 CHRNA7 (0.55) CHRNA7ACHELMNAALDH1A1ALOX5
SCHEMBL11938485 0.71 CHRNA7 (0.55) CHRNA7ACHELMNAALDH1A1ALOX5
SCHEMBL2356074 0.70 CYP2A6 (0.42) STAT3CHRNA7ACHECYP2A6LMNA
SCHEMBL11324732 0.70 CYP2A6 (0.42) STAT3CHRNA7ACHECYP2A6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314252-B2 Process for preparing oxazoline-protected aminodiol compounds useful as intermediates to florfenicol INTERVET INC. (US) 2012-11-20 — — US disclosed
US-20110166359-A1 PROCESS FOR PREPARING OXAZOLINE-PROTECTED AMINODIOL COMPOUNDS USEFUL AS INTERMEDIATES TO FLORFENICOL INTERVET INTERNATIONAL B.V. (NL) 2011-07-07 — — US disclosed
US-7786329-B2 Process for preparing ester oxazolidine compounds and their conversion to Florfenicol INTERVET INC. (US) 2010-08-31 — — US disclosed
US-20070055080-A1 Process for preparing ester oxazolidine compounds and their conversion to Florfenicol SCHERING-PLOUGH ANIMAL HEALTH CORP. 2007-03-08 — — US disclosed
US-20070055067-A1 Process for preparing oxazolidine protected aminodiol compounds useful as intermediates to Florfenicol SCHERING-PLOUGH ANIMAL HEALTH CORP. 2007-03-08 — — US disclosed
US-20070055066-A1 Process for preparing oxazolidine protected aminodiol compounds useful as intermediates to florfenicol SCHERING-PLOUGH ANIMAL HEALTH CORP 2007-03-08 — — 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 (4 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-20070055080-A1 Process for preparing ester oxazolidine compounds and their conversion to Florfenicol CYP4F8, CYP4F2, CYP2F1 STAT3 4731/4885CHRNA7 4213/4885ACHE 2649/4885
US-20070055067-A1 Process for preparing oxazolidine protected aminodiol compounds useful as intermediates to Florfenicol DHFR, DPYD, AMPD2 STAT3 4836/4885CHRNA7 4392/4885ACHE 3270/4885
US-20070055066-A1 Process for preparing oxazolidine protected aminodiol compounds useful as intermediates to florfenicol DHFR, DPYD, AMPD2 STAT3 4836/4885CHRNA7 4392/4885ACHE 3270/4885
US-20110166359-A1 PROCESS FOR PREPARING OXAZOLINE-PROTECTED AMINODIOL COMPOUNDS USEFUL AS INTERMEDIATES TO FLORFENICOL PFAS, DHFR, OXA1L STAT3 4675/4885CHRNA7 2386/4885ACHE 2833/4885

“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.