SCHEMBL20264309

SCHEMBL20264309

CC(C)NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)CS2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.51
▸ NPC1 O15118 1/20 0.45
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA2 P54646 1/20 0.44
▸ PRKAB1 Q9Y478 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ SRC P12931 3/20 0.42
▸ NPY1R P25929 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL20264360 0.94 TP53 (0.49) TP53NPC1PRKAG1PRKAA2PRKAB1
SCHEMBL20264269 0.94 TP53 (0.44) TP53NPC1PRKAG1PRKAA2PRKAB1
SCHEMBL20263987 0.93 NPC1 (0.44) TP53NPC1SMN1; SMN2XIAPSRC
SCHEMBL26961716 0.92 NPC1 (0.46) TP53NPC1MAPTSMN1; SMN2LMNA
SCHEMBL20264146 0.91 TP53 (0.43) TP53NPC1MAPTSMN1; SMN2LMNA
SCHEMBL20264074 0.90 TP53 (0.55) TP53NPC1MAPTSMN1; SMN2LMNA
SCHEMBL20264186 0.90 TP53 (0.55) TP53NPC1MAPTSMN1; SMN2LMNA
SCHEMBL20264217 0.90 TP53 (0.55) TP53NPC1MAPTSMN1; SMN2LMNA
SCHEMBL20264358 0.90 NPC1 (0.45) TP53NPC1MAPTSMN1; SMN2LMNA
SCHEMBL20264153 0.90 NPC1 (0.45) TP53NPC1MAPTSMN1; SMN2LMNA

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 563/4885PRKAG1 4678/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 TP53 2084/4885NPC1 563/4885PRKAG1 4678/4885

“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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