SCHEMBL16099136

SCHEMBL16099136

CC(=O)NC(CSc1ncnc2[nH]cnc12)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.40
PRNP P04156 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
HIF1A Q16665 1/20 0.36
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL9172544 1.00 NOTUM (0.42) NOTUMTSHRGAAPRNPNPSR1
SCHEMBL21456772 0.82 TSHR (0.67) TSHRGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL9172563 0.82 TSHR (0.67) TSHRGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL735449 0.81 NOTUM (0.60) NOTUMTSHRRXFP1SMN1; SMN2NPC1
SCHEMBL9177267 0.81 NOTUM (0.41) NOTUMTSHRGAASMN1; SMN2NPC1
SCHEMBL24996925 0.80 NOTUM (0.67) NOTUMGAAPRNPNPSR1RXFP1
SCHEMBL30127726 0.80 NOTUM (0.67) NOTUMGAAPRNPNPSR1RXFP1
SCHEMBL12855358 0.79 TSHR (0.36) NOTUMTSHRGAACDC7DBF4
SCHEMBL9177428 0.74 TP53 (0.46) NOTUMTSHRGAANPSR1RXFP1
SCHEMBL14028457 0.73 ALDH1A1 (0.65) NOTUMNPSR1SMN1; SMN2NPC1ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976061-B1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD (BE) 2019-10-16 EP claimed
EP-2976061-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS Dentalmed Pharm Holding Ltd. (BE) 2016-01-27 EP claimed
WO-2014147613-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD. (BE) 2014-09-25 WO claimed
US-20230130132-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING AMPHIPHILIC PEPTIDES AND METHODS OF USE THEREOF BONE SCI. BIO LTD. (IL) 2023-04-27 US disclosed
EP-4125993-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING AMPHIPHILIC PEPTIDES AND METHODS OF USE THEREOF Bone Sci. Bio Ltd. (IL) 2023-02-08 EP disclosed
WO-2021191903-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING AMPHIPHILIC PEPTIDES AND METHODS OF USE THEREOF BONE SCI. BIO LTD. (IL) 2021-09-30 WO disclosed
WO-2021181379-A1 COMPOSITIONS AND METHODS FOR TREATING OSTEOLYSIS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2021-09-16 WO disclosed
EP-2976061-B1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD (BE) 2019-10-16 EP disclosed
US-20190216704-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD. (BE) 2019-07-18 US disclosed
US-20160279043-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD. (BE) 2016-09-29 US disclosed
EP-2976061-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS Dentalmed Pharm Holding Ltd. (BE) 2016-01-27 EP disclosed
WO-2014147613-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD. (BE) 2014-09-25 WO 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-20190216704-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS SIRT3, NNT, SIRT1 NOTUM 1686/4885TSHR 2888/4885GAA 4320/4885
US-20160279043-A1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS SIRT3, NNT, SIRT1 NOTUM 1686/4885TSHR 2888/4885GAA 4320/4885

“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.