SCHEMBL3498441

SCHEMBL3498441

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.57
LTA4H P09960 1/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
EPOR P19235 1/20 0.48
MAOB P27338 3/20 0.46
BCL2 P10415 3/20 0.45
MCL1 Q07820 1/20 0.45
KDM4A O75164 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
KEAP1 Q14145 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL3498438 1.00 AR (0.57) ARLTA4HMEN1KMT2AEPOR
SCHEMBL3498101 0.84 AR (0.60) ARLTA4HMEN1KMT2ABCL2
SCHEMBL3498103 0.84 AR (0.60) ARLTA4HMEN1KMT2ABCL2
SCHEMBL32668280 0.80 MEN1 (0.48) MEN1KMT2AMAPTLMNA
SCHEMBL21995328 0.78 MEN1 (0.49) MEN1KMT2AMAPTLMNA
SCHEMBL21995330 0.78 MEN1 (0.49) MEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL28624157 0.78 MEN1 (0.48) MEN1KMT2AMAPTLMNA
SCHEMBL18380161 0.75 MEN1 (0.41) ARMEN1KMT2AEPOR
SCHEMBL18379930 0.75 MEN1 (0.49) MEN1KMT2AEPOR
SCHEMBL16552347 0.74 MAOB (0.70) LTA4HEPORMAOB

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 AR 115/4885LTA4H 1788/4885MEN1 3918/4885

“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.