SCHEMBL22198528

SCHEMBL22198528

CC(=O)C(Cc1cccc2ccccc12)NC(=O)CCCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.49
MMP8 P22894 2/20 0.49
MMP14 P50281 1/20 0.49
TACR1 P25103 1/20 0.48
MME P08473 2/20 0.48
ACE P12821 2/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
FOLH1 Q04609 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
CTNNB1 P35222 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MMP2 P08253 1/20 0.43
OPRD1 P41143 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL26427643 0.82 HRH4 (0.48) MMP9MMP8MMP14TACR1MME
SCHEMBL8668232 0.82 MME (0.59) MMP9MMP8MMP14TACR1MME
SCHEMBL3660997 0.82 MME (0.59) MMP9MMP8MMP14TACR1MME
SCHEMBL3658383 0.81 MME (0.58) MMP9MMP8MMP14MMEACE
SCHEMBL8673998 0.81 MME (0.58) MMP9MMP8MMP14MMEACE
SCHEMBL8668240 0.81 MME (0.62) MMP9MMP8MMP14TACR1MME
SCHEMBL3660841 0.81 MME (0.62) MMP9MMP8MMP14TACR1MME
SCHEMBL3658643 0.81 FAAH (0.58) MMEACECPA1ACE2HRH4
SCHEMBL8672727 0.81 FAAH (0.58) MMEACECPA1ACE2HRH4
SCHEMBL3662267 0.81 FAAH (0.58) MMEACECPA1ACE2HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200215199-A1 COMPOUNDS FOR TREATING CANCER BICYCLETX LIMITED (GB) 2020-07-09 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-20200215199-A1 COMPOUNDS FOR TREATING CANCER TP53, VHL, MYC MMP9 745/4885MMP8 911/4885MMP14 1498/4885

“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.