SCHEMBL7637262

SCHEMBL7637262

O=C(Cc1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PRKCA P17252 1/20 0.53
PRKCD Q05655 1/20 0.53
NR4A2 P43354 2/20 0.50
POLB P06746 1/20 0.50
MMP1 P03956 1/20 0.50
MMP12 P39900 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
IDO1 P14902 2/20 0.48
MGLL Q99685 1/20 0.47
EPHX1 P07099 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL7639892 0.90 TACR1 (0.51) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL7059330 0.86 FFAR4 (0.54) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL7641201 0.86 PPARG (0.50) ALDH1A1MMP1MMP12SIGMAR1MGLL
SCHEMBL3818181 0.86 ALDH1A1 (0.67) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL7636937 0.84 THRB (0.54) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL6647004 0.82 PRKCA (0.62) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL4156553 0.82 FFAR4 (0.58) MEN1KMT2AMAPTHTTPRKCA
SCHEMBL7641678 0.81 HCAR2 (0.54) MEN1KMT2AMAPTALDH1A1NR4A2
SCHEMBL7640356 0.81 MEN1 (0.56) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL2164148 0.81 MEN1 (0.61) MEN1KMT2AMAPTHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP 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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA MEN1 3973/4885KMT2A 1937/4885MAPT 2401/4885

“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.