SCHEMBL3744810

SCHEMBL3744810

O=C(O)CC1CC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.54
HSD11B2 P80365 1/20 0.54
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
CYP2D6 P10635 1/20 0.45
PKM P14618 1/20 0.43
CCR1 P32246 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3742454 0.88 HSD11B1 (0.44) HSD11B1HSD11B2KMT2AALDH1A1SMN1; SMN2
SCHEMBL3744641 0.80 HSD11B1 (0.47) HSD11B1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL3744663 0.80 HSD11B1 (0.48) HSD11B1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL3752153 0.77 POLB (0.50) HSD11B1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL3747454 0.75 POLB (0.48) HSD11B1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL12884709 0.74 HSD11B1 (0.57) HSD11B1HSD11B2SMN1; SMN2GAAL3MBTL1
SCHEMBL1222515 0.72 HSD11B1 (0.55) HSD11B1HSD11B2
SCHEMBL4235542 0.72 HSD11B1 (0.55) HSD11B1HSD11B2
SCHEMBL3749402 0.71 CYP2D6 (0.43) HSD11B1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL2701428 0.71 KMT2A (0.55) HSD11B1KMT2AALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
WO-2009061681-A2 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2009-05-14 WO disclosed
WO-2009061681-A2 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2009-05-14 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-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 HSD11B1 442/4885HSD11B2 264/4885KMT2A 4352/4885

“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.