SCHEMBL2518702

SCHEMBL2518702

CC(C)(C)N(Cc1cc(Br)ccc1F)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
PTK2 Q05397 2/20 0.37
PTPN1 P18031 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.36
DGAT1 O75907 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
PYCR1 P32322 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL17372745 0.88 MEN1 (0.40) RIPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1362512 0.86 LMNA (0.46) RIPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL2516419 0.85 ALDH1A1 (0.43) RIPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1362996 0.82 POLB (0.51) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL1818639 0.81 PTGDR2 (0.39) MEN1KMT2AALDH1A1LMNAPTPN1
SCHEMBL2518672 0.79 MEN1 (0.38) RIPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1362285 0.78 CYP1A2 (0.48) RIPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1684422 0.77 MEN1 (0.55) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2518880 0.76 PKM (0.39) RIPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL2518875 0.76 PKM (0.39) RIPK1MEN1KMT2AALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011124998-A1 SUBSTITUTED 3,5- DI PHENYL - ISOXAZOLINE DERIVATIVES AS INSECTICIDES AND ACARICIDES PFIZER INC. (US) 2011-10-13 WO disclosed
US-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES PFIZER INC. (US) 2011-10-13 US disclosed
EP-1408962-B1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-15 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-20110251247-A1 SUBSTITUTED ISOXAZOLINE DERIVATIVES CYP4X1, COL1A1, RDX RIPK1 2690/4885BRD4 756/4885BRD2 1287/4885

“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.