SCHEMBL2888588

SCHEMBL2888588

CCN(C(C)=O)c1cccc(C(C)Nc2ccccc2Oc2ccc(Cl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 1/20 0.39
MAPK14 Q16539 4/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PNLIP P16233 2/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPY5R Q15761 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35

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
SCHEMBL2890633 0.87 L3MBTL1 (0.41) TSPOL3MBTL1LMNAHTR2ASLC6A4
SCHEMBL2884715 0.85 CCR5 (0.44)
SCHEMBL13028226 0.81 HTR2A (0.46) TSPOMMP2MMP9L3MBTL1LMNA
SCHEMBL2888447 0.81 HTR2A (0.46) TSPOMMP2MMP9L3MBTL1LMNA
SCHEMBL2888454 0.79 PNLIP (0.46) L3MBTL1LMNAHTR2ASLC6A4TDP1
SCHEMBL13067963 0.77 CCR5 (0.39) LMNA
SCHEMBL27851365 0.77 MTNR1B (0.49) L3MBTL1LMNAPNLIPPOLBSMN1; SMN2
SCHEMBL2894417 0.76 HSD17B1 (0.41) L3MBTL1LMNA
SCHEMBL13067454 0.71 HTR2A (0.45) TSPOMMP2MMP9L3MBTL1LMNA
SCHEMBL2890300 0.71 HTR2A (0.52) L3MBTL1LMNAHTR2ASLC6A4TDP1

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
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 TSPO 928/4885MMP2 2286/4885MMP9 2456/4885

“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.