SCHEMBL13951965

SCHEMBL13951965

COc1ccc(C(OC[C@@H](OCn2cnc3c(=O)[nH]c(NC(=O)CCCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)nc32)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PDE3A Q14432 1/20 0.33
▸ PDE9A O76083 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ TK1 P04183 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HBB P68871 1/20 0.30

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
SCHEMBL13952086 0.97 TYMP (0.35) TYMPMEN1KMT2ATSHRPDE3A
SCHEMBL12674166 0.90 TYMP (0.36) TYMPMEN1KMT2ATSHRPDE3A
SCHEMBL13951963 0.86 TYMP (0.36) TYMPMEN1KMT2ATSHRPDE3A
SCHEMBL13952070 0.86 TYMP (0.32) TYMPMDM2
SCHEMBL13952066 0.85 ABL1 (0.32) MDM2
SCHEMBL13952168 0.82 HINT1 (0.33) TYMPMEN1KMT2ATSHRPDE9A
SCHEMBL13930520 0.82 TYMP (0.49) TYMPMEN1KMT2A
SCHEMBL13375800 0.81 TYMP (0.40) TYMPMEN1KMT2AMDM2
SCHEMBL13952176 0.81 HDAC6 (0.31) TYMPMDM2
SCHEMBL13951955 0.80 MEN1 (0.43) MEN1KMT2ATSHRPDE3ATK1

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-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD FUJITSU LIMITED (JP) 2009-02-26 — — 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-20090053710-A1 FUNCTIONAL MOLECULE, FUNCTIONAL MOLECULE SYNTHESIZING AMIDITE AND TARGET SUBSTANCE ANALYSIS METHOD TACR1, TACR2, ATIC TYMP 2415/4885MEN1 2580/4885KMT2A 2968/4885

“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.

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