SCHEMBL4877868

SCHEMBL4877868

CCC1(C(=O)NC(C(=O)O)c2cccs2)C=CC(c2ccccc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
PYGL P06737 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B2 P37059 4/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL4878751 0.74 KDM1A (0.35) POLBMAPK1TACR3MAPT
SCHEMBL2157188 0.71 CYP3A4 (0.36) CYP3A4CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL4876772 0.70 ANPEP (0.35)
SCHEMBL14397393 0.69 ALOX5 (0.43) CYP3A4CYP2D6CYP2C9ALOX15TSHR
SCHEMBL4877871 0.69 PYGL (0.34) CYP3A4CYP2D6CYP2C9ALOX15TSHR
SCHEMBL404156 0.68 MMP1 (0.38)
SCHEMBL6032865 0.67 CYP2C19 (0.42) CYP3A4CYP2D6CYP2C9ALOX15TSHR
Methane SCHEMBL11684216 0.67 CYP2C19 (0.46) CYP3A4CYP2D6CYP2C9ALOX15TSHR
SCHEMBL403859 0.67 CSK (0.34) TSHR
SCHEMBL10678094 0.66 PYGL (0.43) CYP3A4CYP2D6CYP2C9ALOX15TSHR

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS CYP3A4 85/4885CYP2D6 36/4885CYP2C9 75/4885

“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.