SCHEMBL2888718

SCHEMBL2888718

CC(=O)N1CCC(C(=O)Nc2cccc(C(C)Nc3ccccc3Oc3ccc(Cl)cc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.51
KDR P35968 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
MAPT P10636 1/20 0.43
CSF1R P07333 1/20 0.42
ACKR3 P25106 1/20 0.42
DRD2 P14416 1/20 0.42
PTPN1 P18031 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
NPY5R Q15761 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL13862600 0.92 MGLL (0.44) MGLLKDRUBE2MDCUN1D1CSF1R
SCHEMBL2888423 0.85 GAA (0.47) MGLLKDRTRPV1UBE2MDCUN1D1
SCHEMBL2894417 0.84 HSD17B1 (0.41) KDRUBE2MDCUN1D1LMNA
SCHEMBL2888454 0.83 PNLIP (0.46) MAPTLMNA
SCHEMBL643168 0.83 GAA (0.60) MGLLKDRSMN1; SMN2UBE2MDCUN1D1
SCHEMBL13028224 0.82 KDR (0.52) MGLLKDRSMN1; SMN2ACKR3
SCHEMBL2884715 0.82 CCR5 (0.44) UBE2MDCUN1D1
SCHEMBL27851365 0.77 MTNR1B (0.49) SMN1; SMN2LMNA
SCHEMBL13862599 0.77 GAA (0.47) MGLLTRPV1GAAPKMLMNA
SCHEMBL642196 0.76 GAA (0.56) MGLLSMN1; SMN2GAAPKM

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 9 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
EP-2220026-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2010-08-25 EP disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 WO 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 MGLL 1418/4885KDR 2668/4885SMN1; SMN2 4254/4885

“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.