SCHEMBL22450668

SCHEMBL22450668

CNC(C)C(=O)NC(C(=O)N1CCCC1Cn1cc(C#N)c2cc(Cl)ccc21)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BIRC2 Q13490 9/20 0.45
▸ TNF P01375 4/20 0.44
▸ XDH P47989 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ XIAP P98170 3/20 0.40
▸ BIRC3 Q13489 3/20 0.40
▸ PFKFB2 O60825 1/20 0.40
▸ PFKFB1 P16118 1/20 0.40
▸ PFKFB3 Q16875 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL24067367 1.00 BIRC2 (0.45) BIRC2TNFXDHCYP3A4XIAP
SCHEMBL22450729 0.92 TNF (0.52) BIRC2TNFCYP3A4XIAPBIRC3
SCHEMBL22450669 0.92 TNF (0.52) BIRC2TNFCYP3A4XIAPBIRC3
SCHEMBL22450712 0.89 CNR1 (0.46) BIRC2TNFCYP3A4XIAPBIRC3
SCHEMBL24067411 0.89 CNR1 (0.46) BIRC2TNFCYP3A4XIAPBIRC3
SCHEMBL24067312 0.88 CNR1 (0.45) BIRC2TNFCYP3A4XIAPBIRC3
SCHEMBL22450725 0.88 CNR1 (0.45) BIRC2TNFCYP3A4XIAPBIRC3
SCHEMBL24488606 0.87 TNF (0.45) BIRC2TNFCYP3A4XIAPBIRC3
SCHEMBL22450830 0.87 TNF (0.45) BIRC2TNFCYP3A4XIAPBIRC3
SCHEMBL22450599 0.87 TNF (0.45) BIRC2TNFCYP3A4XIAPBIRC3

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
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
EP-3712162-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-09-23 — — EP 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 BIRC2 3/4885TNF 1106/4885XDH 3678/4885
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF BIRC7, BIRC5, BIRC2 BIRC2 3/4885TNF 1538/4885XDH 3356/4885
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof BIRC7, BIRC5, BIRC2 BIRC2 3/4885TNF 1538/4885XDH 3356/4885

“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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