SCHEMBL4125092

SCHEMBL4125092

N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C(=O)Nc2ccccc2S[C@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.51
ESR1 P03372 1/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
PTPN7 P35236 1/20 0.51
RECQL P46063 1/20 0.51
ESR2 Q92731 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GLA P06280 1/20 0.43
HTT P42858 2/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 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
SCHEMBL5225903 0.85 HSD17B10 (0.55) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL10352935 0.81 HSD17B10 (0.61) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3345261 0.80 POLB (0.47) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL9802422 0.75 HSD17B10 (0.46) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL4110970 0.74 HSD17B10 (0.47) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3340581 0.74 PSEN1 (0.46) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3347301 0.73 HSD17B10 (0.41) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3342434 0.72 PSEN1 (0.50) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3344471 0.72 HSD17B10 (0.41) HSD17B10KDM4EUSP2ESR1POLB
SCHEMBL3342721 0.70 HSD17B10 (0.49) HSD17B10KDM4EUSP2ESR1POLB

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
US-20090054398-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-7294622-B2 Lactams and uses thereof ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1845089-A1 Novel lactams and uses thereof AstraZeneca AB (SE) 2007-10-17 EP disclosed
US-20060089346-A1 Novel lactams and uses thereof ASTRAZENECA AB (SE) 2006-04-27 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-20060089346-A1 Novel lactams and uses thereof BACE1, BACE2, APH1B HSD17B10 512/4885KDM4E 4277/4885USP2 1724/4885
US-20090054398-A1 CHEMICAL COMPOUNDS NOTCH1, HES1, NOTCH2 HSD17B10 917/4885KDM4E 1937/4885USP2 4502/4885

“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.