SCHEMBL19798474

SCHEMBL19798474

O=S(=O)(Cc1ccccc1)N1C2CC3CC(C2)CC1C3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
TSHR P16473 2/20 0.49
HPGD P15428 2/20 0.49
HSD11B1 P28845 1/20 0.47
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
CTSG P08311 1/20 0.42
FAAH O00519 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
ELANE P08246 1/20 0.41
PRTN3 P24158 1/20 0.41
PRSS3 P35030 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL2218867 0.81 HPGD (0.54) TSHRHPGDPOLBKMT2AALDH1A1
SCHEMBL21358394 0.80 POLB (0.49) TSHRHPGDPOLBKMT2AALDH1A1
SCHEMBL20153171 0.79 TSHR (0.45) TSHRHPGDHSD11B1POLBKMT2A
SCHEMBL20724774 0.76 HPGD (0.43) TSHRHPGDHSD11B1POLBKMT2A
SCHEMBL19808661 0.76 POLB (0.38) TSHRHPGDHSD11B1POLBKMT2A
SCHEMBL19013698 0.76 POLB (0.51) TSHRHPGDPOLBKMT2AALDH1A1
SCHEMBL20069848 0.75 POLB (0.42) TSHRHPGDPOLBKMT2AALDH1A1
SCHEMBL20149637 0.75 POLB (0.42) TSHRHPGDPOLBKMT2AALDH1A1
SCHEMBL30868905 0.74 POLB (0.47) TSHRHPGDHSD11B1POLBKMT2A
SCHEMBL19013660 0.73 POLB (0.49) TSHRHPGDPOLBKMT2AALDH1A1

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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 CHRM2 4156/4885CHRM4 4526/4885CHRM5 3749/4885

“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.