SCHEMBL19852955

SCHEMBL19852955

CN1CCOc2cc(S(=O)(=O)Nc3cccc4cnccc34)ccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.71
PTGES2 Q9H7Z7 1/20 0.61
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
EIF2AK3 Q9NZJ5 1/20 0.53
SCN9A Q15858 5/20 0.52
SCN5A Q14524 1/20 0.52
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
DDX3X O00571 1/20 0.47

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
SCHEMBL17737450 0.84 IDO1 (1.00) IDO1ALDH1A1HTTSCN9ASCN5A
SCHEMBL3772396 0.76 PTGES2 (1.00) PTGES2ALDH1A1HTTRECQLEIF2AK3
SCHEMBL17737767 0.74 IDO1 (0.67) IDO1ALDH1A1RECQLDDX3XKMT2A
SCHEMBL10239556 0.74 PTGES2 (0.62) PTGES2ALDH1A1HTTRECQLEIF2AK3
SCHEMBL3534196 0.73 PTGES2 (0.58) PTGES2ALDH1A1HTTRECQLEIF2AK3
SCHEMBL17737675 0.73 IDO1 (0.63) IDO1PTGES2ALDH1A1HTTRECQL
Hydrochloric Acid SCHEMBL9958373 0.73 PTGES2 (0.61) PTGES2ALDH1A1HTTRECQLEIF2AK3
SCHEMBL17737441 0.73 IDO1 (0.62) IDO1ALDH1A1HTTRECQLDDX3X
SCHEMBL19852954 0.73 IDO1 (0.62) IDO1ALDH1A1HTTRECQLDDX3X
SCHEMBL22536976 0.73 CYP11B1 (0.50) IDO1PTGES2ALDH1A1HTTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215155-B1 INHIBITORS OF TRYPTOPHAN-2,3-DIOXYGENASE OR INDOLEAMINE-2,3-DIOXYGENASE IOMET PHARMA LTD (GB) 2020-10-14 EP disclosed
US-10287252-B2 Inhibitors of tryptophan-2,3-dioxygenase or indoleamine-2,3-dioxygenase IOMET PHARMA LTD. (GB) 2019-05-14 US disclosed
US-20180037553-A1 INHIBITORS OF TRYPTOPHAN-2,3-DIOXYGENASE OR INDOLEAMINE-2,3-DIOXYGENASE IOMET PHARMA LTD. (GB) 2018-02-08 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-10287252-B2 Inhibitors of tryptophan-2,3-dioxygenase or indoleamine-2,3-dioxygenase TDO2, IDO2, IDO1 IDO1 3/4885PTGES2 1534/4885ALDH1A1 3640/4885
US-20180037553-A1 INHIBITORS OF TRYPTOPHAN-2,3-DIOXYGENASE OR INDOLEAMINE-2,3-DIOXYGENASE TDO2, IDO2, IDO1 IDO1 3/4885PTGES2 1534/4885ALDH1A1 3640/4885

“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.