SCHEMBL20264269

SCHEMBL20264269

CC(C)NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](NC(=O)OC(C)(C)C)CS2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ SRC P12931 3/20 0.41
▸ CCR3 P51677 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38

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
SCHEMBL20264309 0.94 TP53 (0.51) TP53NPC1XIAPSRCPRKAG1
SCHEMBL20264146 0.93 TP53 (0.43) TP53NPC1XIAPSRC
SCHEMBL20263987 0.91 NPC1 (0.44) TP53NPC1HPGDXIAPSRC
SCHEMBL20264030 0.90 NPC1 (0.44) TP53NPC1KDM4EHPGDRAB9A
SCHEMBL20280142 0.90 TP53 (0.43) TP53NPC1KDM4EHPGDRAB9A
SCHEMBL20264360 0.88 TP53 (0.49) TP53NPC1XIAPSRCPRKAG1
SCHEMBL26961716 0.85 NPC1 (0.46) TP53NPC1XIAPSRC
SCHEMBL20264371 0.85 TP53 (0.45) TP53NPC1KDM4EXIAPSRC
SCHEMBL20264370 0.85 TP53 (0.45) TP53NPC1KDM4EXIAPSRC
SCHEMBL20264066 0.84 MAPT (0.39) TP53CCR3PRKAG1PRKAA2PRKAB1

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 TP53 2084/4885NPC1 563/4885KDM4E 2238/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 TP53 2084/4885NPC1 563/4885KDM4E 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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