SCHEMBL20264071

SCHEMBL20264071

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(C(=O)NC3CCC(F)(F)C3)cc2N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ P2RX3 P56373 5/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ SRC P12931 3/20 0.34
▸ XIAP P98170 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ CCKBR P32239 1/20 0.32

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
SCHEMBL20264373 1.00 POLB (0.36) POLBMAPTP2RX3NPC1SRC
SCHEMBL20264010 0.96 POLB (0.37) POLBMAPTP2RX3NPC1SRC
SCHEMBL20264259 0.94 POLB (0.38) POLBMAPTP2RX3NPC1SRC
SCHEMBL20264334 0.91 NPC1 (0.41) POLBMAPTP2RX3NPC1SRC
SCHEMBL20263872 0.90 CNR1 (0.40) POLBMAPTP2RX3NPC1SRC
SCHEMBL20263966 0.89 CNR1 (0.37) NPC1SRCXIAPNPY1RTP53
SCHEMBL20286587 0.89 POLB (0.38) POLBMAPTP2RX3NPC1SRC
SCHEMBL20264287 0.88 P2RX3 (0.43) POLBMAPTP2RX3NPC1CNR1
SCHEMBL20264167 0.88 POLB (0.38) POLBMAPTP2RX3NPC1SRC
SCHEMBL20264230 0.87 P2RX3 (0.40) POLBMAPTP2RX3SRCXIAP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472341-B2 Bicyclic tetrahydrothiazepine derivatives useful for the treatment of neoplastic and/or infectious diseases APEIRON BIOLOGICS AG (AT) 2019-11-12 — — US disclosed
US-10472341-B2 Bicyclic tetrahydrothiazepine derivatives useful for the treatment of neoplastic and/or infectious diseases APEIRON BIOLOGICS AG (AT) 2019-11-12 — — US disclosed
EP-3265463-B1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES APEIRON BIOLOGICS AG (AT) 2018-12-19 — — EP disclosed
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES APEIRON BIOLOGICS GMBH (AT) 2018-06-21 — — US disclosed
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES APEIRON BIOLOGICS GMBH (AT) 2018-06-21 — — 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 (2 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-10472341-B2 Bicyclic tetrahydrothiazepine derivatives useful for the treatment of neoplastic and/or infectious diseases CCNT2, HRH4, HRH3 POLB 3325/4885MAPT 2443/4885P2RX3 368/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 POLB 3325/4885MAPT 2443/4885P2RX3 368/4885

“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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