SCHEMBL25489137

SCHEMBL25489137

CC(C)COC(=O)O/N=C(\N)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.56
KLF5 Q13887 2/20 0.56
NOD1 Q9Y239 2/20 0.56
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
NOD2 Q9HC29 1/20 0.43
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.40
EPHX1 P07099 1/20 0.40
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.39
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 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
SCHEMBL23490200 0.88 TNF (0.54) TNFKLF5NOD1NPC1RAB9A
SCHEMBL8363484 0.85 USP2 (0.56) NPC1RAB9AMAPTUSP2ALDH1A1
SCHEMBL25489139 0.83 TNF (0.58) TNFKLF5NOD1NPC1RAB9A
SCHEMBL25489134 0.81 TNF (0.47) TNFKLF5NOD1NPC1RAB9A
SCHEMBL25489140 0.79 TNF (0.64) TNFKLF5NOD1NPC1RAB9A
SCHEMBL25489141 0.78 TNF (0.58) TNFKLF5NOD1NPC1RAB9A
SCHEMBL29012462 0.76 ALDH1A1 (0.51) TNFKLF5NOD1NPC1RAB9A
SCHEMBL26144285 0.76 TNF (0.68) TNFKLF5NOD1NPC1RAB9A
SCHEMBL1788254 0.74 MAPT (0.47) NPC1RAB9AMAPTNPSR1LMNA
SCHEMBL23490196 0.73 LMNA (0.43) TNFKLF5NOD1NPC1RAB9A

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-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 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-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 TNF 4805/4885KLF5 4655/4885NOD1 4176/4885

“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.