SCHEMBL9970576

SCHEMBL9970576

COC(=O)C[C@@H](N)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
HSD17B10 Q99714 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SLC1A1 P43005 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL8989873 1.00 TSHR (0.42) TSHRHSD17B10MGAMGAASI
SCHEMBL9970276 1.00 TSHR (0.42) TSHRHSD17B10MGAMGAASI
Hydrochloric Acid SCHEMBL9936423 0.98 TSHR (0.40) TSHRHSD17B10MGAMGAASI
Hydrochloric Acid SCHEMBL5419950 0.98 TSHR (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL28740616 0.86 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL22047261 0.80 TSHR (0.37) TSHRHSD17B10MGAMGAASI
SCHEMBL1144127 0.80
SCHEMBL1661431 0.80
SCHEMBL4375047 0.80
SCHEMBL18502990 0.79 LMNA (0.41) TSHRLMNAMAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
EP-3357918-A1 NOVEL PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2018-08-08 EP disclosed
EP-2928881-B1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-03-14 EP disclosed
US-9522886-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-12-20 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-20150307452-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
EP-2928881-A1 NOVEL PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-10-14 EP disclosed
EP-2526116-B1 PYRUVAMIDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN ST GEORGES HOSP MEDICAL SCHOOL (GB) 2015-05-13 EP disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
WO-2014086705-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
WO-2008007391-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF VALSARTAN SATYANARAYANA REDDY MANNE (IN) 2008-01-17 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 (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-20150307452-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS3, NDUFV2 TSHR 1273/4885HSD17B10 2030/4885MGAM 4677/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS TSHR 2355/4885HSD17B10 2690/4885MGAM 3300/4885
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT TSHR 3496/4885HSD17B10 1563/4885MGAM 1725/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT TSHR 3496/4885HSD17B10 1563/4885MGAM 1725/4885

“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.