SCHEMBL3744641

SCHEMBL3744641

CC(C(=O)O)C1CC2(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 4/20 0.43
POLB P06746 4/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
CYP2D6 P10635 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
CCR1 P32246 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3749402 0.91 CYP2D6 (0.43) HSD11B1ALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL3752153 0.88 POLB (0.50) HSD11B1ALDH1A1POLBHTTLMNA
SCHEMBL3749180 0.84 CYP2D6 (0.41) HSD11B1ALDH1A1MEN1KMT2ATSHR
SCHEMBL3744663 0.81 HSD11B1 (0.48) HSD11B1ALDH1A1POLBHTTLMNA
SCHEMBL3744810 0.80 HSD11B1 (0.54) HSD11B1ALDH1A1POLBHTTMEN1
SCHEMBL3742454 0.79 HSD11B1 (0.44) HSD11B1ALDH1A1POLBHTTLMNA
SCHEMBL3742443 0.79 KMT2A (0.43) ALDH1A1POLBHTTLMNAMEN1
SCHEMBL13081850 0.75 OXTR (0.39) ALDH1A1POLBMEN1KMT2ATSHR
SCHEMBL3747454 0.74 POLB (0.48) HSD11B1ALDH1A1POLBHTTLMNA
SCHEMBL3744639 0.71 HSD11B1 (0.47) HSD11B1ALDH1A1POLBHTTLMNA

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 2 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
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 442/4885ALDH1A1 2555/4885POLB 4394/4885

“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.