SCHEMBL20264030

SCHEMBL20264030

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(C(=O)O)cc2N(Cc2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.44
▸ XIAP P98170 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPY1R P25929 1/20 0.40
▸ F7 P08709 1/20 0.40
▸ F3 P13726 1/20 0.40
▸ SRC P12931 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29796955 0.93 NPC1 (0.45) NPC1XIAPNPY1RF7F3
SCHEMBL20264153 0.93 NPC1 (0.45) NPC1XIAPNPY1RF7F3
SCHEMBL20280142 0.92 TP53 (0.43) NPC1XIAPKDM4EHPGDRAB9A
SCHEMBL20280018 0.91 NPC1 (0.45) NPC1XIAPKDM4EHPGDNPY1R
SCHEMBL20264216 0.91 NPC1 (0.45) NPC1XIAPNPY1RF7F3
SCHEMBL20264249 0.91 NPC1 (0.45) NPC1XIAPNPY1RF7F3
SCHEMBL20264032 0.91 NPC1 (0.45) NPC1XIAPNPY1RF7F3
SCHEMBL20263940 0.91 POLB (0.47) NPC1XIAPKDM4EHPGDNPY1R
SCHEMBL20264269 0.90 TP53 (0.44) NPC1XIAPKDM4EHPGDRAB9A
SCHEMBL20263993 0.90 NPC1 (0.46) NPC1XIAPKDM4ENPY1RF7

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 6 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
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 NPC1 563/4885XIAP 3498/4885KDM4E 2238/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 NPC1 563/4885XIAP 3498/4885KDM4E 2238/4885

“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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