SCHEMBL31370537

SCHEMBL31370537

CC(C)(C)OC(=O)n1cc(I)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.47
HTR6 P50406 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
GPR119 Q8TDV5 4/20 0.40
KRAS P01116 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
AKR1C3 P42330 2/20 0.36
TGFBR1 P36897 1/20 0.35
AKR1C2 P52895 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PIM1 P11309 1/20 0.34
MARK3 P27448 1/20 0.34
MAP4K2 Q12851 1/20 0.34
CAMK2B Q13554 1/20 0.34
PIM3 Q86V86 1/20 0.34

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
SCHEMBL16972300 0.84 HTR6 (0.46) HTR6L3MBTL1GABRG2GABRB3GABRA5
SCHEMBL30407382 0.84 HTR6 (0.46) HTR6L3MBTL1GABRG2GABRB3GABRA5
SCHEMBL16729466 0.82 MAP2K4 (0.44) MAP2K4HTR6L3MBTL1MAPTGPR119
SCHEMBL24067403 0.82 HTR6 (0.46) HTR6L3MBTL1KRASGABRG2GABRB3
SCHEMBL12615032 0.82 HTR6 (0.46) HTR6L3MBTL1KRASGABRG2GABRB3
SCHEMBL16729405 0.81 MAP2K4 (0.43) MAP2K4HTR6L3MBTL1MAPTGPR119
SCHEMBL16727058 0.81 HTR6 (0.52) MAP2K4HTR6L3MBTL1MAPTGPR119
SCHEMBL9901232 0.81 HTR6 (0.45) HTR6L3MBTL1GABRG2GABRB3GABRA5
SCHEMBL14304582 0.81 AKR1C3 (0.47) HTR6L3MBTL1AKR1C3AKR1C2
SCHEMBL29942639 0.81 AKR1C3 (0.47) HTR6L3MBTL1AKR1C3AKR1C2

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 MAP2K4 4086/4885HTR6 3245/4885L3MBTL1 1869/4885

“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.