SCHEMBL2775307

SCHEMBL2775307

CCOC(=O)C(=O)C(C)C(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.41
ALDH1A1 P00352 6/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 1/20 0.33
TRPA1 O75762 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 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
SCHEMBL60410 0.82 ALDH1A1 (0.42) SOAT1ALDH1A1NPSR1GLO1LMNA
SCHEMBL15059134 0.80 MAPT (0.40) SOAT1ALDH1A1ALOX15GAAMAPT
SCHEMBL14134298 0.80 ALDH1A1 (0.44) SOAT1ALDH1A1NPSR1GLO1LMNA
SCHEMBL28035204 0.80 ALDH1A1 (0.32) ALDH1A1TSHREGLN1
SCHEMBL1148993 0.79 SOAT1 (0.46) SOAT1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL5752815 0.77 SOAT1 (0.39) SOAT1ALDH1A1NPSR1GLO1LMNA
SCHEMBL166879 0.77 ALDH1A1 (0.46) SOAT1ALDH1A1NPSR1GLO1LMNA
SCHEMBL2779427 0.76 ALOX15 (0.35) SOAT1ALDH1A1NPSR1GLO1LMNA
SCHEMBL2779431 0.76 ALOX15 (0.35) SOAT1ALDH1A1NPSR1GLO1LMNA
SCHEMBL3999724 0.75 MMP8 (0.36) SOAT1ALDH1A1NPSR1GLO1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317252-B1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-10106506-B2 General process for the preparation of 6-substituted or 5,6-disubstituted derivatives of 2-amino-isonicotinic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-10-23 US disclosed
US-20180186741-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-05 US disclosed
US-20180186741-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-07-05 US disclosed
EP-3317252-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID Boehringer Ingelheim International GmbH (DE) 2018-05-09 EP disclosed
WO-2017001670-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-05 WO disclosed
EP-2227475-B1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN INC (US) 2014-02-19 EP disclosed
US-8269008-B2 Oxazolopyridine and isoxazolopyridine derivatives for use in the treatment of HIF-mediated conditions FIBROGEN, INC. (US) 2012-09-18 US disclosed
US-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2010-12-02 US disclosed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed
EP-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 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 (3 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-10106506-B2 General process for the preparation of 6-substituted or 5,6-disubstituted derivatives of 2-amino-isonicotinic acid IMPDH2, IMPDH1, GFPT1 SOAT1 1840/4885ALDH1A1 678/4885NPSR1 2966/4885
US-20100303928-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS HIF1AN, HIF1A, EGLN2 SOAT1 4550/4885ALDH1A1 219/4885NPSR1 2642/4885
US-20180186741-A1 A GENERAL PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED OR 5,6-DISUBSTITUTED DERIVATIVES OF 2-AMINO-ISONICOTINIC ACID IMPDH2, IMPDH1, GFPT1 SOAT1 1862/4885ALDH1A1 699/4885NPSR1 2980/4885

“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.