SCHEMBL20264186

SCHEMBL20264186

C[C@H](NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)CS2)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.55
▸ THRB P10828 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ XIAP P98170 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
SCHEMBL20264074 1.00 TP53 (0.55) TP53THRBMAPTPOLBNPC1
SCHEMBL20264217 1.00 TP53 (0.55) TP53THRBMAPTPOLBNPC1
SCHEMBL20263984 0.92 TP53 (0.54) TP53THRBMAPTPOLBNPC1
SCHEMBL20264054 0.92 TP53 (0.54) TP53THRBMAPTPOLBNPC1
SCHEMBL20263981 0.92 TP53 (0.54) TP53THRBMAPTPOLBNPC1
SCHEMBL20264309 0.90 TP53 (0.51) TP53MAPTNPC1LMNASMN1; SMN2
SCHEMBL20264364 0.88 TP53 (0.53) TP53MAPTNPC1LMNASMN1; SMN2
SCHEMBL20264360 0.88 TP53 (0.49) TP53MAPTPOLBNPC1LMNA
SCHEMBL26961716 0.86 NPC1 (0.46) TP53MAPTPOLBNPC1LMNA
SCHEMBL20264146 0.85 TP53 (0.43) TP53MAPTNPC1LMNASMN1; SMN2

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 2084/4885THRB 388/4885MAPT 2443/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 TP53 2084/4885THRB 388/4885MAPT 2443/4885

“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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