SCHEMBL22705359

SCHEMBL22705359

COc1ccc(C2CCCN2C(=O)C(C)(C)Oc2ccc(Cl)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.51
SCD5 Q86SK9 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
RIPK1 Q13546 2/20 0.43
MAPT P10636 2/20 0.43
EP300 Q09472 1/20 0.42
CREBBP Q92793 1/20 0.42
ROCK2 O75116 2/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL22705446 0.91 RIPK1 (0.47) SCDSCD5SMN1; SMN2L3MBTL1RIPK1
SCHEMBL22688972 0.90 RIPK1 (0.44) SCDSCD5SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22688971 0.90 RIPK1 (0.44) SCDSCD5SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22705348 0.90 RIPK1 (0.50) SCDSCD5SMN1; SMN2L3MBTL1RIPK1
SCHEMBL22705508 0.89 RIPK1 (0.56) SCDSCD5SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22705456 0.89 L3MBTL1 (0.48) SCDSCD5SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22705380 0.89 RIPK1 (0.56) SCDSCD5SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22705379 0.89 RIPK1 (0.43) SCDSCD5SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL22705453 0.89 ROCK2 (0.43) SCDSCD5SMN1; SMN2L3MBTL1RIPK1
SCHEMBL22705385 0.89 RIPK1 (0.43) SCDSCD5SMN1; SMN2ALDH1A1L3MBTL1

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 SCD 427/4885SCD5 544/4885SMN1; SMN2 3840/4885

“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.