SCHEMBL17055124

SCHEMBL17055124

O=C(c1ccc([N+](=O)[O-])cc1)N1CC(O)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA12 O43570 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
HPGD P15428 1/20 0.54
HSD11B1 P28845 1/20 0.53
MGLL Q99685 1/20 0.53
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ATM Q13315 1/20 0.52
HTT P42858 1/20 0.52
CES1 P23141 1/20 0.52
EPHX2 P34913 1/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4481782 0.84 HSD11B1 (0.65) CA1CA2CA12CA7CA9
SCHEMBL18053957 0.83 CA12 (0.52) CA1CA2CA12CA7CA9
SCHEMBL14236800 0.83 RAB9A (0.63) CA1CA2CA12CA7CA9
SCHEMBL9152022 0.82 CA12 (0.77) CA1CA2CA12CA7CA9
SCHEMBL15131500 0.81 ALDH1A1 (0.51) CA1CA2CA12CA7CA9
SCHEMBL25312338 0.80 ALDH1A1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL4724436 0.79 KMT2A (0.75) CA1CA2CA12CA7CA9
SCHEMBL31516948 0.79 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL1877246 0.79 KMT2A (0.80) CA1CA2CA12CA7CA9
SCHEMBL31267074 0.78 HSD11B1 (0.62) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
US-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
WO-2015131080-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2015-09-03 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 (3 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-20150266875-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CA1 4879/4885CA2 4600/4885CA12 4833/4885
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CA1 4879/4885CA2 4600/4885CA12 4833/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CA1 4879/4885CA2 4600/4885CA12 4833/4885

“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.