SCHEMBL2504071

SCHEMBL2504071

CCOC(=O)C(C)NCCCCCNC(C)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 1/20 0.38
METAP2 P50579 6/20 0.37
METAP1 P53582 5/20 0.37
ALDH1A1 P00352 2/20 0.37
EPHX1 P07099 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
CPB2 Q96IY4 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2504506 0.98 SMN1; SMN2 (0.41) SMN1; SMN2GAAMGAMSIMGAM2
SCHEMBL11194460 0.94 TSHR (0.46) TSHRKMT2AEPHX1ZDHHC7LMNA
SCHEMBL17010280 0.94 TSHR (0.46) TSHRKMT2AEPHX1ZDHHC7LMNA
SCHEMBL28677862 0.94 TSHR (0.46) TSHRKMT2AEPHX1ZDHHC7LMNA
SCHEMBL28364726 0.94 TSHR (0.46) TSHRKMT2AEPHX1ZDHHC7LMNA
SCHEMBL5123880 0.94 TSHR (0.46) TSHRKMT2AEPHX1ZDHHC7LMNA
SCHEMBL11184643 0.92 TSHR (0.43) SMN1; SMN2TSHRMETAP2METAP1EPHX1
SCHEMBL8158861 0.91 CPB2 (0.49) SMN1; SMN2METAP2METAP1CPB2
SCHEMBL28250638 0.90 ACHE (0.42) SMN1; SMN2GAAMGAMSIMGAM2
SCHEMBL5011365 0.90 ACHE (0.42) SMN1; SMN2GAAMGAMSIMGAM2

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-2376133-B1 MEDICAL ADHESIVE FOR SURGERY BAYER MATERIALSCIENCE AG (DE) 2012-10-31 EP disclosed
EP-2376133-B1 MEDICAL ADHESIVE FOR SURGERY BAYER MATERIALSCIENCE AG (DE) 2012-10-31 EP disclosed
EP-2376133-A2 MEDICAL ADHESIVE FOR SURGERY Bayer MaterialScience AG (DE) 2011-10-19 EP disclosed
US-20110245351-A1 MEDICAL ADHESIVE FOR SURGERY BAYER MATERIALSCIENCE AG (DE) 2011-10-06 US disclosed
US-20110245351-A1 MEDICAL ADHESIVE FOR SURGERY BAYER MATERIALSCIENCE AG (DE) 2011-10-06 US disclosed
WO-2010066356-A2 MEDICAL ADHESIVE FOR SURGERY BAYER MATERIALSCIENCE AG (DE) 2010-06-17 WO disclosed
WO-2010066356-A2 MEDICAL ADHESIVE FOR SURGERY BAYER MATERIALSCIENCE AG (DE) 2010-06-17 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 (1 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-20110245351-A1 MEDICAL ADHESIVE FOR SURGERY ICAM1, EPCAM, PTK2 SMN1; SMN2 4543/4885GAA 3977/4885MGAM 212/4885

“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.