SCHEMBL3757100

SCHEMBL3757100

COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(C(C)(C)C(=O)O)c2ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 6/20 0.46
NPC1 O15118 1/20 0.45
PKLR P30613 1/20 0.45
RAB9A P51151 1/20 0.45
CCR6 P51684 1/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3744663 0.88 HSD11B1 (0.48) HSD11B1CYP2D6MEN1KMT2AALDH1A1
SCHEMBL3749435 0.88 LMNA (0.46) HSD11B1CYP3A4USP2CYP1A2CYP2D6
SCHEMBL3747454 0.78 POLB (0.48) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL3749402 0.72 CYP2D6 (0.43) HSD11B1CYP3A4CYP2D6KMT2AALDH1A1
SCHEMBL3757096 0.72 HSD11B1 (0.53) HSD11B1CYP3A4USP2CYP1A2CYP2D6
SCHEMBL3744641 0.71 HSD11B1 (0.47) HSD11B1CYP2D6MEN1KMT2AALDH1A1
SCHEMBL2699791 0.70 KMT2A (0.76) HSD11B1CYP3A4USP2CYP1A2CYP2D6
SCHEMBL11888962 0.69 PKM (0.65) HSD11B1CYP3A4USP2CYP1A2CYP2D6
SCHEMBL3742454 0.69 HSD11B1 (0.44) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL12549973 0.69 HSD11B1 (1.00) HSD11B1CYP3A4USP2CYP2D6MEN1

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 442/4885CYP3A4 3168/4885USP2 2542/4885

“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.