SCHEMBL18623977

SCHEMBL18623977

CCCCCCCCC1C[C@H](C(=O)O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GPR119 Q8TDV5 5/20 0.38
TP53 P04637 1/20 0.38
NAMPT P43490 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36
GLS O94925 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL18604605 1.00 NR1H2 (0.46) NR1H2MEN1KMT2AALDH1A1MAPT
SCHEMBL18604606 1.00 NR1H2 (0.46) NR1H2MEN1KMT2AALDH1A1MAPT
SCHEMBL17087673 1.00 NR1H2 (0.46) NR1H2MEN1KMT2AALDH1A1MAPT
SCHEMBL25759682 0.88 NR1H2 (0.54) NR1H2MEN1KMT2AALDH1A1MAPT
SCHEMBL23658055 0.87 NR1H2 (0.43) NR1H2MEN1KMT2AALDH1A1MAPT
SCHEMBL18637508 0.87 NR1H2 (0.43) NR1H2MEN1KMT2AALDH1A1MAPT
SCHEMBL18604596 0.87 NR1H2 (0.43) NR1H2MEN1KMT2AALDH1A1MAPT
SCHEMBL17079738 0.87 NR1H2 (0.43) NR1H2MEN1KMT2AALDH1A1MAPT
SCHEMBL17087656 0.87 NR1H2 (0.43) NR1H2MEN1KMT2AALDH1A1MAPT
SCHEMBL18623975 0.87 NR1H2 (0.43) NR1H2MEN1KMT2AALDH1A1MAPT

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-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2017-03-16 US disclosed
US-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS SPERO THERAPEUTICS, INC. 2017-03-16 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-20170073373-A1 POLYMYXIN DERIVATIVES AND THEIR USE IN COMBINATION THERAPY TOGETHER WITH DIFFERENT ANTIBIOTICS PNISR, MRPS18A, RRP15 NR1H2 1098/4885MEN1 1690/4885KMT2A 3363/4885

“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.