SCHEMBL5999934

SCHEMBL5999934

CC(C)(C)[N+]1(C(=O)[O-])C[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 2/20 0.43
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
POLB P06746 2/20 0.42
HTR7 P34969 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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
Hydrochloric Acid SCHEMBL3844477 0.76 DPP4 (0.69) DPP4DPP8DPP7POLB
SCHEMBL3844483 0.75 KMT2A (0.47) KMT2AMEN1ALDH1A1DPP4DPP8
SCHEMBL5999940 0.72 DPP4 (0.55) DPP4DPP8DPP7SMN1; SMN2
SCHEMBL5144573 0.72 LMNA (0.33) DPP4DPP8DPP7
SCHEMBL13698461 0.64 ALDH1A1 (0.70) KMT2AMEN1ALDH1A1POLBHTR7
SCHEMBL18701879 0.63 LMNA (0.64) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL13923614 0.63 LMNA (0.67) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL1464081 0.63 LMNA (0.67) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL27896818 0.62 LMNA (0.71) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL6255120 0.62 LMNA (0.63) KMT2AMEN1ALDH1A1POLBSMN1; SMN2

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-20060079498-A1 Therapeutic compounds PFIZER INC 2006-04-13 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-20060079498-A1 Therapeutic compounds SLC5A2, SLC5A1, REN KMT2A 2117/4885MEN1 537/4885ALDH1A1 3486/4885

“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.