SCHEMBL16822754

SCHEMBL16822754

NC(=O)C[C@H](NCCCc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.62
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 1/20 0.47
SIGMAR1 Q99720 3/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
EPHX2 P34913 1/20 0.45
MMP8 P22894 1/20 0.44
KDM4E B2RXH2 1/20 0.44
EPHX1 P07099 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
ITGB2 P05107 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
SCHEMBL16822755 1.00 GGT1 (0.62) GGT1RAB9AALDH1A1KMT2ACYP2D6
SCHEMBL3451052 0.91 ALDH1A1 (0.54) GGT1RAB9AALDH1A1KMT2ACYP2D6
SCHEMBL3451049 0.91 ALDH1A1 (0.54) GGT1RAB9AALDH1A1KMT2ACYP2D6
SCHEMBL19419067 0.88 GGT1 (0.65) GGT1RAB9AALDH1A1KMT2ACYP2D6
SCHEMBL2248518 0.85 GGT1 (0.67) GGT1RAB9AKMT2ACYP2D6CYP2C9
SCHEMBL29257628 0.84 GGT1 (0.65) GGT1RAB9AKMT2ACYP2D6CYP2C9
SCHEMBL19418932 0.83 GGT1 (0.59) GGT1ALDH1A1KMT2AL3MBTL1SIGMAR1
SCHEMBL18645284 0.83 GGT1 (0.67) GGT1RAB9AKMT2ACYP2D6CYP2C9
SCHEMBL4560841 0.83 GGT1 (0.67) GGT1RAB9AKMT2ACYP2D6CYP2C9
SCHEMBL27507225 0.83 GGT1 (0.67) GGT1RAB9AKMT2ACYP2D6CYP2C9

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-20150175578-A1 COMPOSITIONS AND METHODS FOR TREATMENT SARCODE BIOSCIENCE INC. (US) 2015-06-25 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-20150175578-A1 COMPOSITIONS AND METHODS FOR TREATMENT ICAM1, VCAM1, ITGAL GGT1 957/4885RAB9A 2495/4885ALDH1A1 116/4885

“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.