SCHEMBL20264189

SCHEMBL20264189

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(C(=O)NC3CCC(F)(F)CC3)cc2N(Cc2ccc(Cl)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.50
▸ TP53 P04637 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ USP2 O75604 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL20264047 0.93 NPC1 (0.49) NPC1TP53ALDH1A1NPSR1USP2
SCHEMBL20264038 0.93 NPC1 (0.47) NPC1TP53ALDH1A1NPSR1USP2
SCHEMBL20263801 0.89 NPC1 (0.44) NPC1TP53MAPTSMN1; SMN2LMNA
SCHEMBL20286415 0.89 NPC1 (0.44) NPC1TP53MAPTSMN1; SMN2LMNA
SCHEMBL20264010 0.88 POLB (0.37) NPC1TP53MAPTLMNA
SCHEMBL20264309 0.87 TP53 (0.51) NPC1TP53MAPTSMN1; SMN2LMNA
SCHEMBL26961716 0.87 NPC1 (0.46) NPC1TP53MAPTSMN1; SMN2LMNA
SCHEMBL20264083 0.87 NPC1 (0.48) NPC1TP53ALDH1A1NPSR1USP2
SCHEMBL20264153 0.87 NPC1 (0.45) NPC1TP53MAPTSMN1; SMN2LMNA
SCHEMBL29796955 0.87 NPC1 (0.45) NPC1TP53MAPTSMN1; 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 NPC1 563/4885TP53 2084/4885ALDH1A1 2070/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 NPC1 563/4885TP53 2084/4885ALDH1A1 2070/4885

“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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