SCHEMBL22688971

SCHEMBL22688971

Cc1ccc([C@@H]2CCCN2C(=O)C(C)(C)Oc2ccc(Cl)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
CCNC P24863 7/20 0.41
CDK8 P49336 7/20 0.41
SCD O00767 2/20 0.40
ROCK2 O75116 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.39
HSD11B2 P80365 1/20 0.39
DRD2 P14416 1/20 0.38
GSK3A P49840 1/20 0.38
CDK9 P50750 1/20 0.38
SLC6A3 Q01959 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 3/20 0.38
SCD5 Q86SK9 1/20 0.38

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
SCHEMBL22688972 1.00 RIPK1 (0.44) RIPK1SMN1; SMN2L3MBTL1CCNCCDK8
SCHEMBL22705446 0.93 RIPK1 (0.47) RIPK1SMN1; SMN2L3MBTL1CCNCCDK8
SCHEMBL22705508 0.91 RIPK1 (0.56) RIPK1SMN1; SMN2L3MBTL1SCDALDH1A1
SCHEMBL22705456 0.91 L3MBTL1 (0.48) RIPK1SMN1; SMN2L3MBTL1CCNCCDK8
SCHEMBL22705380 0.91 RIPK1 (0.56) RIPK1SMN1; SMN2L3MBTL1SCDALDH1A1
SCHEMBL22705453 0.90 ROCK2 (0.43) RIPK1SMN1; SMN2L3MBTL1CCNCCDK8
SCHEMBL22705379 0.90 RIPK1 (0.43) RIPK1SMN1; SMN2L3MBTL1CCNCCDK8
SCHEMBL22705385 0.90 RIPK1 (0.43) RIPK1SMN1; SMN2L3MBTL1CCNCCDK8
SCHEMBL22705359 0.90 SCD (0.51) RIPK1SMN1; SMN2L3MBTL1SCDROCK2
SCHEMBL24597770 0.89 RIPK1 (0.42) RIPK1SMN1; SMN2L3MBTL1CCNCCDK8

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
CN-111978311-B Cell apoptosis inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2024-05-31 CN disclosed
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
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 146/4885SMN1; SMN2 3840/4885L3MBTL1 3153/4885

“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.