SCHEMBL20280049

SCHEMBL20280049

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ XIAP P98170 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPY1R P25929 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ SRC P12931 4/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL20279842 0.93 TP53 (0.43) TP53NPC1XIAPPOLBSMN1; SMN2
SCHEMBL20280006 0.92 TP53 (0.51) TP53NPC1XIAPPOLBSMN1; SMN2
SCHEMBL29796849 0.92 TP53 (0.51) TP53NPC1XIAPPOLBSMN1; SMN2
SCHEMBL20264032 0.92 NPC1 (0.45) TP53NPC1XIAPNPY1RSRC
SCHEMBL20280014 0.92 TP53 (0.42) TP53NPC1XIAPPOLBSMN1; SMN2
SCHEMBL20279843 0.92 TP53 (0.42) TP53NPC1XIAPPOLBSMN1; SMN2
SCHEMBL20280139 0.92 TP53 (0.44) TP53NPC1XIAPPOLBSMN1; SMN2
SCHEMBL20280141 0.92 TP53 (0.42) TP53NPC1XIAPPOLBSMN1; SMN2
SCHEMBL30830353 0.91 TP53 (0.41) TP53NPC1XIAPPOLBSMN1; SMN2
SCHEMBL20280142 0.91 TP53 (0.43) TP53NPC1XIAPPOLBSMN1; 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 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 TP53 2084/4885NPC1 563/4885XIAP 3498/4885
US-20180170888-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND/OR INFECTIOUS DISEASES CCNT2, HRH4, HRH3 TP53 2084/4885NPC1 563/4885XIAP 3498/4885

“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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