SCHEMBL4877871

SCHEMBL4877871

CCC1(C(=O)NC(C(=O)O)c2cccs2)C=CC(c2ccccc2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.34
TACR3 P29371 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 2/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 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
SCHEMBL4878757 0.77 ITGB1 (0.36) LMNA
SCHEMBL2157193 0.74 SMN1; SMN2 (0.33) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4876777 0.73 ANPEP (0.37)
SCHEMBL4876249 0.73 ANPEP (0.39)
SCHEMBL404157 0.71 MMP1 (0.36)
SCHEMBL28625433 0.70 HPGD (0.33) L3MBTL1ALDH1A1OPRM1OPRD1HTT
SCHEMBL403860 0.69 ANPEP (0.35) CYP3A4CYP2D6CYP1A2
SCHEMBL27805645 0.69 KDM4E (0.30)
SCHEMBL27724005 0.69 HPGD (0.32) L3MBTL1OPRM1OPRD1POLBSMN1; SMN2
SCHEMBL4877868 0.69 CYP3A4 (0.35) PYGLTACR3CYP3A4CYP2C9TSHR

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 PYGL 435/4885TACR3 3130/4885CYP3A4 85/4885

“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.