SCHEMBL4105346

SCHEMBL4105346

CC(C)OC(=O)c1cc(Br)c(CCCN2C(=O)OCC[C@@H]2CO)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ FLT3 P36888 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ ADORA2B P29275 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
SCHEMBL13871659 0.93 KMT2A (0.34) KMT2AMAPK1CASP3SENP8SENP7
SCHEMBL14610314 0.92 KMT2A (0.33) KMT2AMAPK1CASP3SENP8SENP7
SCHEMBL13871657 0.90 ALDH1A1 (0.34) KMT2AMAPK1CASP3SENP8SENP7
SCHEMBL13871658 0.89 FLT3 (0.32) KMT2AMAPK1CASP3SENP8SENP7
SCHEMBL4118917 0.89 CASP3 (0.33) KMT2AMAPK1CASP3SENP8SENP7
SCHEMBL4114149 0.84 PTGER4 (0.38) —
SCHEMBL14610312 0.79 ALDH1A1 (0.36) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL14610313 0.73 ADORA2B (0.31) ADORA2B
SCHEMBL4106475 0.73 PTGER4 (0.34) —
SCHEMBL2207699 0.73 ALDH1A1 (0.44) LMNAALDH1A1HSD17B10

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-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 — — 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-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 KMT2A 2893/4885MAPK1 1725/4885CASP3 3284/4885

“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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