SCHEMBL1764402

SCHEMBL1764402

O=C(NCCP(=O)(O)CC(Cc1ccc(Br)cc1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
MME P08473 6/20 0.48
ECE1 P42892 6/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACE2 Q9BYF1 1/20 0.45
MMP3 P08254 2/20 0.45
HTT P42858 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL7614011 0.86 HSD17B10 (0.57) HSD17B10MMEECE1ACE2MMP3
SCHEMBL1764165 0.84 ECE1 (0.51) MMEECE1MMP3
SCHEMBL1763964 0.79 HSD17B10 (0.55) HSD17B10MMEECE1ACE2MMP3
SCHEMBL1764401 0.79 ACE2 (0.60) MMEECE1ACE2MMP3MMP1
SCHEMBL7613048 0.76 HSD17B10 (0.58) HSD17B10MMEECE1ACE2MMP3
SCHEMBL1764577 0.75 ERAP2 (0.43) MME
SCHEMBL10305302 0.75 LMNA (0.61) LMNASMN1; SMN2MMP3HTTMMP1
SCHEMBL863804 0.75 LMNA (0.65) HSD17B10LMNASMN1; SMN2HTTSLC1A3
SCHEMBL5916357 0.74 HSD17B10 (0.52) HSD17B10MMP3
SCHEMBL7619188 0.74 ACE2 (0.72) MMEECE1ACE2

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-10131681-B2 Aminophosphinic derivatives that can be used in the treatment of pain PHARMALEADS (FR) 2018-11-20 US disclosed
US-20140161839-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN PHARMALEADS (FR) 2014-06-12 US disclosed
US-8703747-B2 Aminophosphinic derivatives that can be used in the treatment of pain PHARMALEADS (FR) 2014-04-22 US disclosed
US-20110124601-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN PHARMALEADS 2011-05-26 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 (3 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-20110124601-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN OPRM1, HRH3, HRH4 HSD17B10 521/4885MME 3670/4885ECE1 4157/4885
US-10131681-B2 Aminophosphinic derivatives that can be used in the treatment of pain OPRM1, HRH3, HRH4 HSD17B10 548/4885MME 3490/4885ECE1 4097/4885
US-20140161839-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN OPRM1, HRH3, HRH4 HSD17B10 548/4885MME 3490/4885ECE1 4097/4885

“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.