SCHEMBL17838262

SCHEMBL17838262

COC(=O)c1c(Cl)c(C(=O)C(=O)N[C@H](C)C(F)(F)F)cn1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC10A1 Q14973 6/20 0.33
NR4A2 P43354 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
BRD4 O60885 1/20 0.32
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16417169 1.00 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2SLC10A1NR4A2CYP1A2
SCHEMBL17838297 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2SLC10A1
SCHEMBL19873173 0.88 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2SLC10A1
SCHEMBL16417232 0.78 NR4A2 (0.35) NR4A2CYP1A2CYP2C19BRD4PKM
SCHEMBL16416413 0.76 NR4A2 (0.40) ALDH1A1NR4A2CYP1A2CYP2C19BRD4
SCHEMBL17838275 0.76 SLC10A1 (0.37) SLC10A1KDM4E
SCHEMBL16417173 0.75 SLC10A1 (0.36) SLC10A1
SCHEMBL17838290 0.75 SLC10A1 (0.36) SLC10A1
SCHEMBL16237597 0.73 RORC (0.37) CYP2C19
SCHEMBL16992864 0.73 RORC (0.37) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450270-B2 Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-10-22 US disclosed
EP-3357906-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B Janssen Sciences Ireland UC (IE) 2018-08-08 EP disclosed
EP-3024819-B1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-02-21 EP disclosed
US-20160176817-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2016-06-23 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-10450270-B2 Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B GRHPR, AGXT, GLS2 ALDH1A1 4103/4885SMN1; SMN2 4855/4885SLC10A1 64/4885
US-20160176817-A1 GLYOXAMIDE SUBSTITUTED PYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B GRHPR, AGXT, GLS2 ALDH1A1 4103/4885SMN1; SMN2 4855/4885SLC10A1 64/4885

“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.