SCHEMBL22683752

SCHEMBL22683752

CCOC(=O)c1nc(CNC=O)sc1C(C)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL20743910 0.91 ALDH1A1 (0.38) ALDH1A1CYP1A2TRPM8HDAC3HDAC4
SCHEMBL28897412 0.85 TRPM8 (0.41) ALDH1A1CYP1A2TRPM8HDAC3HDAC4
SCHEMBL7497015 0.82 GAA (0.50) ALDH1A1CYP1A2GAAMEN1KMT2A
SCHEMBL22831637 0.81 KDM4E (0.36) ALDH1A1CYP1A2TRPM8HDAC3HDAC4
SCHEMBL7491578 0.81 ALDH1A1 (0.55) ALDH1A1CYP1A2TRPM8GAAMEN1
SCHEMBL20743931 0.80 MEN1 (0.46) ALDH1A1CYP1A2TRPM8GAAMEN1
SCHEMBL20743939 0.80 ALDH1A1 (0.40) ALDH1A1CYP1A2GAAMEN1KMT2A
SCHEMBL20743451 0.80 ALDH1A1 (0.40) ALDH1A1CYP1A2TRPM8GAAMEN1
SCHEMBL20743969 0.78 FBP1 (0.43) ALDH1A1CYP1A2GAAMEN1KMT2A
SCHEMBL20743399 0.78 ALDH1A1 (0.39) ALDH1A1CYP1A2GAAMEN1KMT2A

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-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US disclosed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP 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-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 ALDH1A1 631/4885CYP1A2 71/4885TRPM8 3247/4885

“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.