SCHEMBL22705358

SCHEMBL22705358

CC(C)(Oc1ccc(Cl)cc1F)C(=O)N1CCCC1c1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.48
AR P10275 1/20 0.41
GPR6 P46095 6/20 0.41
SCD O00767 2/20 0.40
SCD5 Q86SK9 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ROCK2 O75116 2/20 0.38
ADAM17 P78536 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP4 P27487 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL22705350 0.90 GPR6 (0.42) RIPK1ARGPR6SCDSCD5
SCHEMBL24597731 0.88 SMN1; SMN2 (0.43) RIPK1ARGPR6SCDSMN1; SMN2
SCHEMBL22705508 0.87 RIPK1 (0.56) RIPK1SCDSCD5SMN1; SMN2ADAM17
SCHEMBL22705380 0.87 RIPK1 (0.56) RIPK1SCDSCD5SMN1; SMN2ADAM17
SCHEMBL22705348 0.86 RIPK1 (0.50) RIPK1SCDSCD5SMN1; SMN2ROCK2
SCHEMBL22705456 0.85 L3MBTL1 (0.48) RIPK1SCDSCD5SMN1; SMN2ROCK2
SCHEMBL22705446 0.83 RIPK1 (0.47) RIPK1SCDSCD5SMN1; SMN2ROCK2
SCHEMBL22705445 0.83 RIPK1 (0.50) RIPK1SCDSMN1; SMN2MEN1KMT2A
SCHEMBL22688972 0.82 RIPK1 (0.44) RIPK1SCDSCD5SMN1; SMN2ROCK2
SCHEMBL22688971 0.82 RIPK1 (0.44) RIPK1SCDSCD5SMN1; SMN2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213077-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2022-07-07 US disclosed
WO-2020233618-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海有机化学研究所 (CN) 2020-11-26 WO 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-20220213077-A1 INHIBITORS FOR PROGRAMMED CELL NECROSIS AND PREPARATION METHOD THEREFOR AND USE THEREOF LITAF, TNF, BAD RIPK1 146/4885AR 4700/4885GPR6 4381/4885

“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.