SCHEMBL3744663

SCHEMBL3744663

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.48
MAPT P10636 2/20 0.47
CCR1 P32246 1/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 4/20 0.43
HTT P42858 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 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
SCHEMBL3757100 0.88 HSD11B1 (0.52) HSD11B1MAPTALDH1A1POLBHTT
SCHEMBL3747454 0.87 POLB (0.48) HSD11B1MAPTALDH1A1POLBHTT
SCHEMBL3744641 0.81 HSD11B1 (0.47) HSD11B1MAPTCCR1ALDH1A1POLB
SCHEMBL3744810 0.80 HSD11B1 (0.54) HSD11B1MAPTCCR1ALDH1A1POLB
SCHEMBL3749435 0.77 LMNA (0.46) HSD11B1ALDH1A1LMNACYP2D6CYP2C19
SCHEMBL3742454 0.77 HSD11B1 (0.44) HSD11B1MAPTALDH1A1POLBHTT
SCHEMBL3752153 0.75 POLB (0.50) HSD11B1MAPTALDH1A1POLBHTT
SCHEMBL3749402 0.71 CYP2D6 (0.43) HSD11B1ALDH1A1KMT2ATSHRSMN1; SMN2
SCHEMBL3744660 0.71 HSD11B1 (0.49) HSD11B1MAPTCCR1ALDH1A1POLB
SCHEMBL10389175 0.70 PTGS2 (0.37) MEN1KMT2ALMNASMN1; SMN2GAA

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-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-25 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-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 HSD11B1 442/4885MAPT 4735/4885CCR1 32/4885

“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.