SCHEMBL12102700

SCHEMBL12102700

N[C@@H]1c2cc([N+](=O)[O-])ccc2C[C@@H]1OS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.41
CHRNA3 P32297 3/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
TLR9 Q9NR96 1/20 0.39
HSP90AA1 P07900 1/20 0.37
PNMT P11086 6/20 0.37
ADRA2A P08913 3/20 0.37
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL7101254 0.80 CYP3A4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL7101251 0.80 CYP3A4 (0.43) CHRNB4CHRNA3CHRNB2CHRNA4MAPT
SCHEMBL1292952 0.76 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4MEN1
SCHEMBL1711411 0.76 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4MEN1
SCHEMBL4873027 0.76 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4MEN1
SCHEMBL16105229 0.76 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4MEN1
SCHEMBL2760982 0.76 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4MEN1
SCHEMBL2760561 0.76 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4MEN1
SCHEMBL1292916 0.76 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4MEN1
SCHEMBL2114569 0.76 CHRNB4 (0.48) CHRNB4CHRNA3CHRNB2CHRNA4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344476-B1 TRICYCLIC CARBAMATE JAK INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2015-04-29 EP disclosed
US-20140363443-A1 TRICYCLIC CARBAMATE JAK INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-20140363443-A1 TRICYCLIC CARBAMATE JAK INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-8846908-B2 Tricyclic carbamate JAK inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-8846908-B2 Tricyclic carbamate JAK inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20110269749-A1 TRICYCLIC CARBAMATE JAK INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-11-03 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 (2 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-20140363443-A1 TRICYCLIC CARBAMATE JAK INHIBITORS JAK3, JAK2, JAK1 CHRNB4 4756/4885CHRNA3 3547/4885CHRNB2 4780/4885
US-20110269749-A1 TRICYCLIC CARBAMATE JAK INHIBITORS JAK3, JAK2, JAK1 CHRNB4 4756/4885CHRNA3 3547/4885CHRNB2 4780/4885

“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.