SCHEMBL24067368

SCHEMBL24067368

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 5/20 0.52
▸ CNR1 P21554 1/20 0.47
▸ XIAP P98170 7/20 0.45
▸ BIRC3 Q13489 7/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ BIRC2 Q13490 4/20 0.41
▸ HTR3A P46098 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
SCHEMBL22450740 1.00 TNF (0.52) TNFCNR1XIAPBIRC3CYP3A4
SCHEMBL22450736 0.94 TNF (0.53) TNFCNR1XIAPBIRC3CYP3A4
SCHEMBL22450711 0.94 TNF (0.53) TNFCNR1XIAPBIRC3CYP3A4
SCHEMBL24182198 0.94 TNF (0.53) TNFCNR1XIAPBIRC3CYP3A4
SCHEMBL22450913 0.88 TNF (0.51) TNFCNR1XIAPBIRC3CYP3A4
SCHEMBL24182182 0.88 TNF (0.51) TNFCNR1XIAPBIRC3CYP3A4
SCHEMBL22450729 0.88 TNF (0.52) TNFXIAPBIRC3CYP3A4BIRC2
SCHEMBL22450669 0.88 TNF (0.52) TNFXIAPBIRC3CYP3A4BIRC2
SCHEMBL24182164 0.87 TNF (0.52) TNFXIAPBIRC3CYP3A4BIRC2
SCHEMBL24067344 0.87 TNF (0.52) TNFXIAPBIRC3CYP3A4BIRC2

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-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
EP-3936126-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-01-12 — — EP 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 4767/4885XIAP 2/4885
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF BIRC7, BIRC5, BIRC2 TNF 1538/4885CNR1 4859/4885XIAP 6/4885
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof BIRC7, BIRC5, BIRC2 TNF 1538/4885CNR1 4859/4885XIAP 6/4885

“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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