SCHEMBL5322923

SCHEMBL5322923

Cc1ccccc1CCC(N)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.52
S1PR1 P21453 1/20 0.52
TAAR1 Q96RJ0 1/20 0.46
PTGER1 P34995 1/20 0.42
PTGFR P43088 1/20 0.42
DPP4 P27487 3/20 0.41
FFAR1 O14842 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
CTBP2 P56545 1/20 0.41
SLC1A5 Q15758 1/20 0.40
MMP12 P39900 2/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27886746 1.00 S1PR2 (0.52) S1PR2S1PR1TAAR1PTGER1PTGFR
Hydrochloric Acid SCHEMBL27886740 0.98 S1PR2 (0.51) S1PR2S1PR1TAAR1PTGER1PTGFR
SCHEMBL5320582 0.91 S1PR2 (0.50) S1PR2S1PR1TAAR1PTGER1PTGFR
SCHEMBL5340826 0.86 S1PR2 (0.54) S1PR2S1PR1TAAR1PTGER1PTGFR
SCHEMBL975050 0.83 DPP4 (0.56) S1PR2S1PR1TAAR1DPP4FFAR1
SCHEMBL2029955 0.83 DPP4 (0.56) S1PR2S1PR1TAAR1DPP4FFAR1
SCHEMBL29478407 0.83 DPP4 (0.56) S1PR2S1PR1TAAR1DPP4FFAR1
SCHEMBL29478392 0.83 DPP4 (0.56) S1PR2S1PR1TAAR1DPP4FFAR1
SCHEMBL975049 0.83 DPP4 (0.56) S1PR2S1PR1TAAR1DPP4FFAR1
SCHEMBL4001944 0.82 S1PR2 (0.42) S1PR2S1PR1TAAR1PTGER1PTGFR

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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 WO 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 S1PR2 1899/4885S1PR1 1718/4885TAAR1 4667/4885

“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.