SCHEMBL16617130

SCHEMBL16617130

COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NMBR P28336 4/20 0.71
MAPT P10636 2/20 0.71
LMNA P02545 1/20 0.71
GAA P10253 1/20 0.70
HTT P42858 1/20 0.70
REN P00797 1/20 0.66
TACR1 P25103 1/20 0.61
MME P08473 2/20 0.61
ECE1 P42892 2/20 0.61
SIRT5 Q9NXA8 1/20 0.61
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP14 P50281 1/20 0.61
CA2 P00918 1/20 0.60
BMP1 P13497 1/20 0.60

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
SCHEMBL14027229 1.00 NMBR (0.71) NMBRMAPTLMNAGAAHTT
SCHEMBL5380023 1.00 NMBR (0.71) NMBRMAPTLMNAGAAHTT
SCHEMBL11765479 1.00 NMBR (0.71) NMBRMAPTLMNAGAAHTT
SCHEMBL5380441 0.98 NMBR (0.74) NMBRMAPTLMNAGAAHTT
SCHEMBL14595064 0.98 NMBR (0.74) NMBRMAPTLMNAGAAHTT
SCHEMBL1318661 0.94 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL29401413 0.94 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL17319524 0.94 NMBR (0.73) NMBRMAPTLMNAGAAHTT
SCHEMBL11330243 0.93 NMBR (0.70) NMBRMAPTLMNAGAAHTT
SCHEMBL29828016 0.92 NMBR (0.69) NMBRMAPTLMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307548-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF CHANG GUNG UNIVERSITY (TW) 2015-10-29 US disclosed
US-20150099691-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF CHANG GUNG UNIVERSITY (TW) 2015-04-09 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 (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-20150307548-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF FPR1, FPR3, FPR2 NMBR 386/4885MAPT 4850/4885LMNA 3345/4885
US-20150099691-A1 FPR1 ANTAGONIST DERIVATIVES AND USE THEREOF FPR1, FPR3, FPR2 NMBR 386/4885MAPT 4850/4885LMNA 3345/4885

“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.