SCHEMBL15419754

SCHEMBL15419754

O=S1(=O)NCCCN1c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
PER2 O15055 2/20 0.40
CRY1 Q16526 2/20 0.40
CRY2 Q49AN0 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
TP53 P04637 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
BACE1 P56817 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL15419810 0.81 CRY1 (0.40) PER2CRY1CRY2POLBALDH1A1
SCHEMBL15420000 0.80 PTPN1 (0.47) ALOX5PER2CRY1CRY2POLB
SCHEMBL8358591 0.77 PIK3C3 (0.36) PER2CRY1CRY2POLBALDH1A1
SCHEMBL16037169 0.76 PTPN1 (0.46) ALOX5PER2CRY1CRY2POLB
SCHEMBL15419716 0.72 MEN1 (0.40) PER2CRY1CRY2POLBALDH1A1
SCHEMBL10192172 0.72 ADRB1 (0.50) ALOX5POLBGAAMAPTMGLL
SCHEMBL8358601 0.71 ADRB1 (0.42) ALOX5POLBALDH1A1GAAMAPT
SCHEMBL17195399 0.70 PTPN1 (0.50) ALOX5PER2GAAMEN1KMT2A
SCHEMBL28289384 0.69 ALOX5 (0.58) ALOX5POLBALDH1A1GAAMAPT
SCHEMBL15433105 0.67 HSD11B1 (0.57) ALOX5POLBMAPTTP53DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740723-B1 SULPHAMIDE DERIVATIVE HAVING AN ADAMANTYL GROUP AND A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KOREA RES INST CHEMICAL TECH (KR) 2017-05-10 EP disclosed
US-9073906-B2 Sulfamide derivative having an adamantyl group and its pharmaceutically acceptable salt KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-07-07 US disclosed
US-9073906-B2 Sulfamide derivative having an adamantyl group and its pharmaceutically acceptable salt KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-07-07 US disclosed
US-9073906-B2 Sulfamide derivative having an adamantyl group and its pharmaceutically acceptable salt KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2015-07-07 US disclosed
EP-2740723-A2 SULPHAMIDE DERIVATIVE HAVING AN ADAMANTYL GROUP AND A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Korea Research Institute of Chemical Technology (KR) 2014-06-11 EP disclosed
US-20140024636-A1 SULFAMIDE DERIVATIVE HAVING AN ADAMANTYL GROUP AND ITS PHARMACEUTICALLY ACCEPTABLE SALT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-01-23 US disclosed
US-20140024636-A1 SULFAMIDE DERIVATIVE HAVING AN ADAMANTYL GROUP AND ITS PHARMACEUTICALLY ACCEPTABLE SALT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-01-23 US disclosed
US-20140024636-A1 SULFAMIDE DERIVATIVE HAVING AN ADAMANTYL GROUP AND ITS PHARMACEUTICALLY ACCEPTABLE SALT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-01-23 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 (1 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-20140024636-A1 SULFAMIDE DERIVATIVE HAVING AN ADAMANTYL GROUP AND ITS PHARMACEUTICALLY ACCEPTABLE SALT HSD11B1, HSD11B2, HSD3B1 ALOX5 1130/4885PER2 1615/4885CRY1 1801/4885

“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.