SCHEMBL31370545

SCHEMBL31370545

O=S1(=O)CCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
WNT3A P56704 2/20 0.43
PANK3 Q9H999 1/20 0.43
ADRA1A P35348 2/20 0.40
OGA O60502 1/20 0.40
CNR2 P34972 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
MAPT P10636 2/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALOX5AP P20292 1/20 0.38

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
SCHEMBL15205930 1.00 AKR1C3 (0.51) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23618968 0.87 AKR1C3 (0.49) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30340514 0.87 AKR1C3 (0.49) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5236585 0.83 AKR1C3 (0.61) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2255519 0.80 GRIN2D (0.56) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30020512 0.80 GRIN2D (0.56) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL742515 0.80 GRIN2D (0.56) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2253910 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13606323 0.79 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL391116 0.79 GRIN2D (0.55) AKR1C3GRIN2DGRIN3BGRIN1GRIN2A

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 AKR1C3 4476/4885GRIN2D 2392/4885GRIN3B 2386/4885

“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.