SCHEMBL6841178

SCHEMBL6841178

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMBR P28336 3/20 0.70
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPK1 P28482 1/20 0.67
MAPT P10636 3/20 0.67
GAA P10253 1/20 0.67
HTT P42858 1/20 0.67
LMNA P02545 1/20 0.64
SSTR1 P30872 1/20 0.62
TACR1 P25103 2/20 0.60
CASP1 P29466 1/20 0.59
MMP2 P08253 3/20 0.59
MMP9 P14780 3/20 0.59
MMP8 P22894 3/20 0.59
MMP14 P50281 3/20 0.59
BMP1 P13497 1/20 0.58
APAF1 O14727 1/20 0.57
POLB P06746 1/20 0.57
RECQL P46063 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL12203727 1.00 NMBR (0.70) NMBRKDM4EALDH1A1MAPK1MAPT
SCHEMBL19015787 0.91 NMBR (0.68) NMBRKDM4EALDH1A1MAPK1MAPT
SCHEMBL1318661 0.87 NMBR (0.73) NMBRMAPTGAAHTTLMNA
SCHEMBL13073927 0.87 NMBR (0.64) NMBRKDM4EMAPTGAAHTT
SCHEMBL17319524 0.87 NMBR (0.73) NMBRMAPTGAAHTTLMNA
SCHEMBL29401413 0.87 NMBR (0.73) NMBRMAPTGAAHTTLMNA
SCHEMBL1285921 0.87 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL29935468 0.87 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL3808330 0.87 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL3265534 0.87 NMBR (0.76) NMBRMAPTGAAHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-8193227-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2012-06-05 US disclosed
US-20110003827-A1 HIV protease inhibiting compounds ABBVIE INC. 2011-01-06 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-20110003827-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP NMBR 4207/4885KDM4E 3048/4885ALDH1A1 2920/4885
US-20130023463-A1 HIV PROTEASE INHIBITING COMPOUNDS SERPINB1, HPN, DNPEP NMBR 4207/4885KDM4E 3048/4885ALDH1A1 2920/4885

“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.