SCHEMBL18490804

SCHEMBL18490804

CC1COC(CC(=O)c2ccc(CC(N)C(=O)O)cc2)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 8/20 0.44
SLC7A5 Q01650 3/20 0.43
PTGS1 P23219 3/20 0.42
PKM P14618 2/20 0.42
ALPI P09923 1/20 0.42
XIAP P98170 1/20 0.42
GRB2 P62993 1/20 0.39
ALOX15 P16050 3/20 0.38
HIF1A Q16665 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
HTR2A P28223 1/20 0.38
PTGS2 P35354 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL826542 0.83 SLC7A5 (0.51) TPH1SLC7A5PTGS1PKMALPI
SCHEMBL15905943 0.83 SLC7A5 (0.51) TPH1SLC7A5PTGS1PKMALPI
SCHEMBL22404232 0.80 ITGB3 (0.48) TPH1SLC7A5PTGS1PKMALPI
SCHEMBL12028748 0.76 TPH1 (0.46) TPH1SLC7A5PTGS1PKMALPI
SCHEMBL13703213 0.74 TPH1 (0.49) TPH1SLC7A5PTGS1PKMALPI
SCHEMBL12641443 0.72 SLC7A5 (0.61) TPH1SLC7A5PTGS1PKMALPI
SCHEMBL28920920 0.72 SLC7A5 (0.61) TPH1SLC7A5PTGS1PKMALPI
SCHEMBL456271 0.70 SLC7A5 (0.59) TPH1SLC7A5PTGS1PKMALPI
SCHEMBL456272 0.70 SLC7A5 (0.59) TPH1SLC7A5PTGS1PKMALPI
SCHEMBL384961 0.70 SLC7A5 (0.62) TPH1SLC7A5PTGS1PKMALPI

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-9962450-B2 Method of treating heart failure with modified relaxin polypeptides AMBRX, INC. (US) 2018-05-08 US disclosed
US-20170035897-A1 Modified Relaxin Polypeptides and Their Uses AMBRX, INC. 2017-02-09 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 (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-20170035897-A1 Modified Relaxin Polypeptides and Their Uses RXFP1, RXFP2, RXFP4 TPH1 4408/4885SLC7A5 4040/4885PTGS1 2170/4885

“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.