Sugi Predict

Sugi Predict / Compounds / SCHEMBL2597751

SCHEMBL2597751

SCHEMBL2597751

N[C@H](C(=O)O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ HSD17B10 Q99714 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ GRM8 O00222 1/20 0.50
▸ GRM6 O15303 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ GRM4 Q14833 1/20 0.50
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ SLC1A1 P43005 2/20 0.49
▸ EPHX1 P07099 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
SCHEMBL431704 1.00 HDAC4 (0.51) HDAC4HDAC7HDAC5HSD17B10MEN1
SCHEMBL23904583 1.00 HDAC4 (0.51) HDAC4HDAC7HDAC5HSD17B10MEN1
SCHEMBL29440623 1.00 HDAC4 (0.51) HDAC4HDAC7HDAC5HSD17B10MEN1
SCHEMBL1354525 0.85 HDAC4 (0.51) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL1354521 0.85 HDAC4 (0.51) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL2311787 0.81 SLC1A1 (0.54) HDAC4HDAC7HDAC5CYP2D6CES2
SCHEMBL19696914 0.81 SLC1A1 (0.54) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL30057785 0.81 FFAR1 (0.52) HSD17B10MEN1CYP2C9KMT2ATDP1
SCHEMBL19415782 0.81 HSD17B10 (0.50) HSD17B10MEN1CYP2C9KMT2ATDP1
SCHEMBL3711116 0.80 SRC (0.58) HDAC4HDAC7HDAC5CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 — — US disclosed
EP-4126876-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS Global Blood Therapeutics, Inc. (US) 2023-02-08 — — EP disclosed
WO-2021202796-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-10-07 — — WO disclosed
CN-105143200-B Serine/threonine kinase inhibitor for treating excess proliferative disease 阵列生物制药公司 2018-10-16 — — CN disclosed
CN-105143200-A Serine/threonine kinase inhibitors for the treatment of hyperproliferative|diseases ARRAY BIOPHARMA INC 2015-12-09 — — CN disclosed
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 — — EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 — — US disclosed
CN-101600700-B Novel 2-amino oxazolines as TAAR1 ligands for CNS disorders HOFFMANN LA ROCHE 2013-08-21 — — CN disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 — — US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 — — US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 — — WO disclosed
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-12-22 — — US disclosed
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-12-22 — — US disclosed
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-12-22 — — US disclosed
WO-2011146401-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-11-24 — — WO disclosed
WO-2011146401-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-11-24 — — WO disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 — — US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 — — EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 — — US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 — — 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 (6 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R HDAC4 2097/4885HDAC7 2533/4885HDAC5 1770/4885
US-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 HDAC4 1630/4885HDAC7 2192/4885HDAC5 1976/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R HDAC4 2123/4885HDAC7 2463/4885HDAC5 1825/4885
US-20110312996-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, PYGL HDAC4 1604/4885HDAC7 2425/4885HDAC5 2215/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R HDAC4 2097/4885HDAC7 2533/4885HDAC5 1770/4885
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM HDAC4 1397/4885HDAC7 1327/4885HDAC5 1045/4885

“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.