SCHEMBL30200079

SCHEMBL30200079

O=c1oc2ccccc2n1CC(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.66
TSHR P16473 2/20 0.66
HPGD P15428 2/20 0.66
USP2 O75604 1/20 0.66
ALDH1A1 P00352 4/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MIF P14174 1/20 0.58
LMNA P02545 1/20 0.57
IDO1 P14902 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL18997054 0.83 MAPK1 (0.66) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL30387356 0.80 MAPK1 (0.62) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL16948384 0.78 KMT2A (0.60) TSHRALDH1A1MIFLMNAL3MBTL1
SCHEMBL16932344 0.78 IDO1 (0.64) IDO1
SCHEMBL3049673 0.77 MAPK1 (0.72) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL904819 0.77 MAPK1 (0.72) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL10915913 0.77 MAPK1 (0.72) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL5537126 0.77 MAPK1 (0.72) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL12124412 0.77 MAPK1 (0.72) MAPK1TSHRHPGDUSP2ALDH1A1
SCHEMBL30195348 0.76 MAPK1 (0.66) MAPK1TSHRHPGDUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230033573-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-02-02 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-20230033573-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 MAPK1 2175/4885TSHR 4207/4885HPGD 669/4885

“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.