SCHEMBL1189679

SCHEMBL1189679

O=C1C2C3CC[C@@H](O3)[C@@H]2C(=O)N1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
TSHR P16473 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 3/20 0.51
LMNA P02545 3/20 0.51
USP2 O75604 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
ELANE P08246 1/20 0.48
CTSG P08311 1/20 0.48
CMA1 P23946 1/20 0.48
CTRC Q99895 1/20 0.48
HTT P42858 1/20 0.47
TP53 P04637 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
SCHEMBL1189677 1.00 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL14381276 1.00 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL17532458 0.89 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL16759895 0.82 KMT2A (0.70) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL16775234 0.82 KMT2A (0.70) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL3497609 0.81 TSHR (0.49) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL18946434 0.78 ALDH1A1 (0.66) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL1190731 0.78 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL1190730 0.78 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL6796154 0.75 KMT2A (0.62) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 US disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 US 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-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS ALDH1A1 985/4885TSHR 2947/4885SMN1; SMN2 3860/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 ALDH1A1 1567/4885TSHR 3052/4885SMN1; SMN2 3262/4885

“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.