SCHEMBL16989187

SCHEMBL16989187

CC(C)(C)OC(=O)Nc1ncc(C[C@H]2C(=O)N(Cc3ccccc3)[C@@H]2C(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
OGA O60502 2/20 0.42
HTT P42858 1/20 0.42
CCNE1 P24864 3/20 0.40
CDK2 P24941 3/20 0.40
CDK5 Q00535 2/20 0.40
RIPK1 Q13546 4/20 0.39
CCNE2 O96020 1/20 0.39
SCD O00767 1/20 0.39
PARG Q86W56 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ENPP2 Q13822 1/20 0.36
GLS O94925 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL16989145 0.91 MAPK1 (0.42) MAPK1SMN1; SMN2OGAHTTCCNE1
SCHEMBL16989149 0.82 HTR2C (0.34) MAPK1KMT2AL3MBTL1ALDH1A1
SCHEMBL18237190 0.81 SMN1; SMN2 (0.39) MAPK1SMN1; SMN2OGAHTTCCNE1
SCHEMBL18476743 0.80 MAPK1 (0.39) MAPK1SMN1; SMN2OGAHTT
SCHEMBL18476498 0.80 MAPK1 (0.38) MAPK1SMN1; SMN2OGAHTTCCNE1
SCHEMBL16989191 0.80 MAPK1 (0.38) MAPK1SMN1; SMN2OGAHTTCCNE1
SCHEMBL16989085 0.80 MAPK1 (0.39) MAPK1SMN1; SMN2OGAHTT
SCHEMBL20244142 0.79 CCNE1 (0.41) MAPK1SMN1; SMN2OGAHTTCCNE1
SCHEMBL16989167 0.79 CCNE1 (0.41) MAPK1SMN1; SMN2OGAHTTCCNE1
SCHEMBL18476499 0.76 CTSL (0.41) MAPK1CCNE1CDK2CCNE2

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-20150225389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS eXIthera Pharmaceuticals Inc. (US) 2015-08-13 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-20150225389-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS KLK5, KLKB1, KLK2 MAPK1 3025/4885SMN1; SMN2 4040/4885OGA 2405/4885

“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.