SCHEMBL24067391

SCHEMBL24067391

C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1Cn1cc(S(C)(=O)=O)c2cc(F)ccc21)C1CCCCC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 6/20 0.40
▸ CNR1 P21554 1/20 0.36
▸ IL1B P01584 2/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ XIAP P98170 3/20 0.33
▸ BIRC3 Q13489 3/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ APP P05067 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL22450852 0.90 CNR1 (0.41) TNFCNR1IL1BP2RX7XIAP
SCHEMBL24067457 0.90 CNR1 (0.41) TNFCNR1IL1BP2RX7XIAP
SCHEMBL24488619 0.89 CNR1 (0.42) TNFCNR1IL1BP2RX7XIAP
SCHEMBL24067507 0.89 TNF (0.40) TNFCNR1IL1BP2RX7XIAP
SCHEMBL24488651 0.88 TNF (0.39) TNFCNR1IL1BP2RX7XIAP
SCHEMBL24067467 0.88 CNR1 (0.40) TNFCNR1IL1BP2RX7HTR2A
SCHEMBL24067306 0.85 TNF (0.52) TNFXIAPBIRC3
SCHEMBL24067344 0.85 TNF (0.52) TNFXIAPBIRC3
SCHEMBL22450721 0.83 CNR1 (0.41) TNFCNR1IL1BP2RX7
SCHEMBL24488604 0.82 CNR1 (0.40) TNFCNR1IL1BP2RX7

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
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof CHIA TAI TIANGQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-14 — — US disclosed
US-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-09 — — US disclosed
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-02 — — 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 (3 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-20220175917-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR BIRC5, XIAP, BIRC2 TNF 1106/4885CNR1 4767/4885IL1B 784/4885
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF BIRC7, BIRC5, BIRC2 TNF 1538/4885CNR1 4859/4885IL1B 1650/4885
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof BIRC7, BIRC5, BIRC2 TNF 1538/4885CNR1 4859/4885IL1B 1650/4885

“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.

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