SCHEMBL17549488

SCHEMBL17549488

CC(C)c1cccc([C@H](C)C2CC2)c1OCOC(=O)CN

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
NLRP3 Q96P20 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL17537078 0.92 DPP4 (0.35) SCN5ASCN9ASCN10ANLRP3ALOX15
SCHEMBL17549499 0.91 SCN5A (0.34) SCN5ASCN9ASCN10ANLRP3ALOX15
SCHEMBL17549493 0.85 SCN5A (0.34) SCN5ASCN9ASCN10AALOX15TSHR
SCHEMBL23299314 0.85 SCN5A (0.39) SCN5ASCN9ASCN10ANLRP3
SCHEMBL23299320 0.85 SCN5A (0.39) SCN5ASCN9ASCN10ANLRP3
SCHEMBL17537132 0.85 SCN5A (0.38) SCN5ASCN9ASCN10AALOX15TSHR
Trifluoroacetic Acid SCHEMBL28110534 0.84 DPP4 (0.34) SCN5ASCN9ASCN10AHTR1AHTR7
Trifluoroacetic Acid SCHEMBL17537104 0.84 DPP4 (0.34) SCN5ASCN9ASCN10AHTR1AHTR7
SCHEMBL17537141 0.84 SCN5A (0.34) SCN5ASCN9ASCN10AALOX15TSHR
SCHEMBL17549495 0.83 LARS1 (0.33) SCN5ASCN9ASCN10AALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2995604-B1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
US-9517988-B2 Phenol derivative and preparation method and use in medicine thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-12-13 US disclosed
US-9517988-B2 Phenol derivative and preparation method and use in medicine thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-12-13 US disclosed
EP-2995604-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2016-03-16 EP disclosed
EP-2995604-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2016-03-16 EP disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 US disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 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-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF CYP2D6, CYP2B6, CYP2A6 SCN5A 1254/4885SCN9A 2831/4885SCN10A 2985/4885

“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.