SCHEMBL20264144

SCHEMBL20264144

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(C(=O)N[C@@H]3CC3(F)F)cc2N(Cc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.46
▸ NPC1 O15118 1/20 0.43
▸ NPY1R P25929 1/20 0.42
▸ SRC P12931 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 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
SCHEMBL20286415 0.93 NPC1 (0.44) XIAPNPC1MAPTSMN1; SMN2LMNA
SCHEMBL20263801 0.93 NPC1 (0.44) XIAPNPC1MAPTSMN1; SMN2LMNA
SCHEMBL20263961 0.92 NPC1 (0.44) XIAPNPC1NPY1RSRCMAPT
SCHEMBL20264246 0.92 NPC1 (0.45) XIAPNPC1NPY1RSRCMAPT
SCHEMBL20264002 0.92 NPC1 (0.43) XIAPNPC1SRCMAPTSMN1; SMN2
SCHEMBL20264149 0.92 NPC1 (0.43) XIAPNPC1SRCMAPTALDH1A1
SCHEMBL20264312 0.90 NPC1 (0.42) XIAPNPC1SRCMAPTSMN1; SMN2
SCHEMBL20264175 0.86 NPC1 (0.40) XIAPNPC1SRCTP53
SCHEMBL20264038 0.85 NPC1 (0.47) XIAPNPC1MAPTSMN1; SMN2LMNA
SCHEMBL20264056 0.85 TP53 (0.46) XIAPNPC1MAPTSMN1; 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 XIAP 3498/4885NPC1 563/4885NPY1R 1054/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 XIAP 3498/4885NPC1 563/4885NPY1R 1054/4885

“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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