Sugi Predict

Sugi Predict / Compounds / SCHEMBL2228247

SCHEMBL2228247

SCHEMBL2228247

N/C(=N/O)c1cc(F)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 1/20 0.52
▸ HCAR2 Q8TDS4 1/20 0.41
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ PKM P14618 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ DHODH Q02127 2/20 0.37
▸ TTR P02766 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ BAD Q92934 1/20 0.35

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
SCHEMBL6976411 1.00 HCAR1 (0.52) HCAR1HCAR2CES2CES1PKM
SCHEMBL2228250 1.00 HCAR1 (0.52) HCAR1HCAR2CES2CES1PKM
SCHEMBL641873 0.83 CES2 (0.44) CES2CES1PKMPARP1GAA
SCHEMBL641872 0.83 CES2 (0.44) CES2CES1PKMPARP1GAA
SCHEMBL336433 0.81 HCAR1 (0.73) HCAR1HCAR2CES2CES1CYP2C19
SCHEMBL20944376 0.80 CES2 (0.46) CES2GAADHODHKDM4EALDH1A1
SCHEMBL20944373 0.80 CES2 (0.46) CES2GAADHODHKDM4EALDH1A1
SCHEMBL27940624 0.79 HCAR1 (0.59) HCAR1HCAR2CES2CES1PARP1
SCHEMBL30614560 0.79 KDM4E (0.46) PKMGAAL3MBTL1CA12CA1
Hydrochloric Acid SCHEMBL2293148 0.79 HCAR1 (0.70) HCAR1HCAR2CES2CES1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 — — EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 — — US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 — — US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 — — US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 — — WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 — — EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — WO 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HCAR1 1897/4885HCAR2 2316/4885CES2 94/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY HCAR1 1897/4885HCAR2 2316/4885CES2 94/4885

“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.