SCHEMBL22491598

SCHEMBL22491598

COC(=O)c1cc(OCCF)c2c(c1)N(C)C(=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CASP3 P42574 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HTR4 Q13639 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ SLC29A1 Q99808 2/20 0.33
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ ABCB1 P08183 1/20 0.32

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
SCHEMBL22491512 0.76 CRBN (0.43) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL24307028 0.69 POLB (0.47) POLBSMN1; SMN2CASP3ALDH1A1HPGD
SCHEMBL15595866 0.66 MAPT (0.60) SMN1; SMN2HPGDHSD17B10CYP3A4MEN1
SCHEMBL2955251 0.66 MAPT (0.53) POLBALDH1A1HPGDKDM4EGAA
SCHEMBL17151834 0.65 MAPT (0.45) POLBSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL12068781 0.65 NOTUM (0.49) POLBALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3125765 0.65 MEN1 (0.43) POLBALDH1A1HPGDKDM4EGAA
SCHEMBL14146271 0.65 MAPT (0.45) POLBSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL18022948 0.65 PTGS2 (0.42) SMN1; SMN2ALDH1A1KDM4EGAASIGMAR1
SCHEMBL3110625 0.65 LMNA (0.56) POLBSMN1; SMN2ALDH1A1HPGDKDM4E

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-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 — — 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-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY POLB 1667/4885SMN1; SMN2 2383/4885CASP3 2286/4885

“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.

Send feedback