SCHEMBL20280018

SCHEMBL20280018

CCc1ccc(CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)CSc3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ XIAP P98170 1/20 0.45
▸ NPY1R P25929 1/20 0.41
▸ F7 P08709 3/20 0.41
▸ F3 P13726 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SRC P12931 3/20 0.39
▸ TP53 P04637 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL20264153 0.93 NPC1 (0.45) NPC1XIAPNPY1RF7F3
SCHEMBL29796955 0.93 NPC1 (0.45) NPC1XIAPNPY1RF7F3
SCHEMBL20264216 0.92 NPC1 (0.45) NPC1XIAPNPY1RF7F3
SCHEMBL20264032 0.92 NPC1 (0.45) NPC1XIAPNPY1RF7F3
SCHEMBL20263940 0.92 POLB (0.47) NPC1XIAPNPY1RF7F3
SCHEMBL20264249 0.92 NPC1 (0.45) NPC1XIAPNPY1RF7F3
SCHEMBL20263993 0.91 NPC1 (0.46) NPC1XIAPNPY1RF7F3
SCHEMBL20264030 0.91 NPC1 (0.44) NPC1XIAPNPY1RF7F3
SCHEMBL20264085 0.91 NPC1 (0.44) NPC1XIAPNPY1RF7F3
SCHEMBL20263960 0.91 NPC1 (0.42) NPC1XIAPNPY1RF7F3

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 3 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-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 563/4885XIAP 3498/4885NPY1R 1054/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 NPC1 563/4885XIAP 3498/4885NPY1R 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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