SCHEMBL3324565

SCHEMBL3324565

COC(=O)/C=C/c1sc(-c2ccc(F)cc2)cc1-c1nnn(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ESR1 P03372 1/20 0.37
TYK2 P29597 3/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34

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
SCHEMBL3324569 1.00 IKBKB (0.38) IKBKBTRPM8ESR1TYK2KDM4E
SCHEMBL3329517 0.89 GPER1 (0.41) IKBKBTRPM8TYK2KDM4EMAPK10
SCHEMBL3329510 0.89 GPER1 (0.41) IKBKBTRPM8TYK2KDM4EMAPK10
SCHEMBL3325836 0.83 IKBKB (0.38) IKBKBESR1KDM4EALDH1A1GAA
SCHEMBL3325841 0.83 IKBKB (0.38) IKBKBESR1KDM4EALDH1A1GAA
SCHEMBL3606649 0.80 IKBKB (0.56) IKBKBTRPM8KDM4EALDH1A1GAA
SCHEMBL3327312 0.78 IKBKB (0.38) IKBKBESR1KDM4EALDH1A1GAA
SCHEMBL3327306 0.78 IKBKB (0.38) IKBKBESR1KDM4EALDH1A1GAA
SCHEMBL3600810 0.76 PTPN1 (0.46) IKBKBTRPM8KDM4ETUBB4ATUBB
SCHEMBL3609666 0.74 TRPM8 (0.47) TRPM8ESR1TYK2KDM4E

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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US claimed
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 IKBKB 3041/4885TRPM8 4597/4885ESR1 1427/4885

“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.