SCHEMBL5069610

SCHEMBL5069610

CC(C)(C)OC(=O)N1CC[C@@H](n2nc(C(F)(F)F)cc2C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.42
EGFR P00533 2/20 0.42
STS P08842 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
USP30 Q70CQ3 5/20 0.40
SFRP1 Q8N474 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R2 O00459 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3R5 Q8WYR1 1/20 0.40
PIK3R3 Q92569 1/20 0.40
TACR1 P25103 1/20 0.40
BTK Q06187 1/20 0.40
ABL1 P00519 1/20 0.40
ABL2 P42684 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
SCHEMBL5069612 1.00 SRC (0.42) SRCEGFRSTSJAK2JAK1
SCHEMBL5066894 0.93 STS (0.46) STSSFRP1HDAC4GPR119
SCHEMBL5064305 0.80 GPR119 (0.45) STSGPR119
SCHEMBL5070408 0.79 GPR119 (0.48) JAK2JAK1USP30HDAC4HDAC6
SCHEMBL5070409 0.79 GPR119 (0.48) JAK2JAK1USP30HDAC4HDAC6
SCHEMBL24007611 0.79 STS (0.49) STSHDAC4GPR119
SCHEMBL5070485 0.78 CARM1 (0.49) TACR1
SCHEMBL5070487 0.78 CARM1 (0.49) TACR1
SCHEMBL5069607 0.77 STS (0.46) STSSFRP1PIK3CDPIK3R2PIK3CA
SCHEMBL22637140 0.77 KLKB1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 WO 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 SRC 498/4885EGFR 3752/4885STS 3667/4885

“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.