SCHEMBL24252653

SCHEMBL24252653

COc1cc(C)c(B(O)O)cc1-c1ccc2c(N)nccc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.51
PLG P00747 2/20 0.51
KLKB1 P03952 2/20 0.51
F11 P03951 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
MAP4K4 O95819 2/20 0.41
DHFR P00374 4/20 0.40
F2 P00734 1/20 0.39
ROCK1 Q13464 2/20 0.37
MRGPRX1 Q96LB2 2/20 0.37
FYN P06241 1/20 0.36
TARS1 P26639 1/20 0.36
C1S P09871 1/20 0.35
TLR8 Q9NR97 1/20 0.35
KLK1 P06870 1/20 0.35

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
SCHEMBL24252941 0.83 F12 (0.60) F12PLGKLKB1F11PRSS1
SCHEMBL26775949 0.83 DHFR (0.37) F12PLGKLKB1F11PRSS1
SCHEMBL24252646 0.78 DHFR (0.36) PLGMAP4K4DHFRFYN
SCHEMBL26771329 0.76 DHFR (0.36) F12PLGKLKB1F11PRSS1
SCHEMBL25840844 0.76 KLKB1 (0.46) F12PLGKLKB1F11PRSS1
SCHEMBL24252618 0.74 PDE10A (0.45) DHFR
Formic Acid SCHEMBL30453086 0.73 DHFR (0.33) MAP4K4DHFRFYN
Formic Acid SCHEMBL25259596 0.73 DHFR (0.33) MAP4K4DHFRFYN
Formic Acid SCHEMBL25304045 0.73 KLKB1 (0.42) F12PLGKLKB1F11PRSS1
SCHEMBL26067409 0.73 KLKB1 (0.42) F12PLGKLKB1F11PRSS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048930-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF ANNEXON, INC. 2022-02-17 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-20220048930-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF CFB, CFH, C9 F12 29/4885PLG 260/4885KLKB1 481/4885

“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.