SCHEMBL4905957

SCHEMBL4905957

COC(=O)CN1C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)Oc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MME P08473 3/20 0.43
ACE P12821 3/20 0.43
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CCKBR P32239 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL4905986 1.00 TSHR (0.44) TSHRMMEACEALDH1A1L3MBTL1
SCHEMBL3344866 0.92 ACE (0.51) TSHRMMEACEALDH1A1L3MBTL1
SCHEMBL4902997 0.92 ACE (0.51) TSHRMMEACEALDH1A1L3MBTL1
SCHEMBL4900062 0.89 MME (0.44) TSHRMMEACEALDH1A1CCKBR
SCHEMBL5242531 0.82 MME (0.47) TSHRMMEACEALDH1A1L3MBTL1
SCHEMBL5242540 0.82 MME (0.47) TSHRMMEACEALDH1A1L3MBTL1
SCHEMBL8432066 0.81 ACE (0.63) TSHRMMEACEALDH1A1L3MBTL1
SCHEMBL7349910 0.81 ACE (0.63) TSHRMMEACEALDH1A1L3MBTL1
SCHEMBL5226142 0.80 KDM1A (0.40) L3MBTL1KDM1AMAOBKMT2A
SCHEMBL4908073 0.79 TSHR (0.51) TSHRALDH1A1L3MBTL1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 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 (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-20080311609-A1 Novel Molecular Probes BACE1, BACE2, PSEN1 TSHR 4617/4885MME 312/4885ACE 1128/4885

“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.